#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/81/2008139.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2008139
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  162
_journal_page_last  165
_publ_section_title
;
Cubane tetrameric complexes of copper(I) chloride and bromide
with triphenyl phosphite
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_publ_author_name
  'Pike, Robert D.'
  'Starnes, William H. Jr'
  'Carpenter, Gene B.'
_chemical_name_common  'cuprous chloride triphenylphosphite cubane tetramer'
_chemical_formula_moiety  'C72 H60 Cl4 Cu4 O12 P4'
_chemical_formula_sum  'C72 H60 Cl4 Cu4 O12 P4'
_chemical_formula_structural  '[Cu Cl (P (O C6 H5)3)]4'
_chemical_formula_iupac  '[Cu~4~Cl~4~(C~18~H~15~O~3~P)~4~]'
_chemical_formula_weight  1637.15
_chemical_melting_point  558
_symmetry_cell_setting  'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  14.6643(2)
_cell_length_b  22.6409(3)
_cell_length_c  22.66450(10)
_cell_angle_alpha  90.00
_cell_angle_beta  107.4340(10)
_cell_angle_gamma  90.00
_cell_volume  7179.20(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.515
_diffrn_ambient_temperature  298(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cu1 0.42816(4) 0.88054(2) 0.18689(3) 0.05659(16) Uani d . 1 . . Cu
  Cu2 0.55381(4) 0.77621(3) 0.15299(2) 0.05632(16) Uani d . 1 . . Cu
  Cu3 0.61309(4) 0.83263(2) 0.29635(3) 0.05680(16) Uani d . 1 . . Cu
  Cu4 0.43085(4) 0.74178(3) 0.24370(3) 0.06465(18) Uani d . 1 . . Cu
  Cl1 0.59376(7) 0.87621(4) 0.19320(5) 0.0454(3) Uani d . 1 . . Cl
  Cl2 0.38662(7) 0.78349(5) 0.14129(5) 0.0471(3) Uani d . 1 . . Cl
  Cl3 0.59787(7) 0.73525(4) 0.25798(5) 0.0482(3) Uani d . 1 . . Cl
  Cl4 0.44184(7) 0.84507(5) 0.28796(5) 0.0493(3) Uani d . 1 . . Cl
  P1 0.35114(8) 0.95836(5) 0.14589(5) 0.0475(3) Uani d . 1 . . P
  O1 0.3392(2) 0.95752(12) 0.07372(14) 0.0644(9) Uani d . 1 . . O
  C1 0.3199(3) 1.00344(19) 0.0299(2) 0.0527(11) Uani d . 1 . . C
  C2 0.3633(4) 0.9968(2) -0.0154(2) 0.0700(14) Uani d . 1 . . C
  H2A 0.4027 0.9649 -0.0154 0.084 Uiso d R 1 . . H
  C3 0.3467(5) 1.0384(3) -0.0612(3) 0.0939(19) Uani d . 1 . . C
  H3A 0.3742 1.0345 -0.0927 0.113 Uiso d R 1 . . H
  C4 0.2897(5) 1.0858(3) -0.0613(3) 0.095(2) Uani d . 1 . . C
  H4A 0.2788 1.1138 -0.0923 0.114 Uiso d R 1 . . H
  C5 0.2484(4) 1.0920(2) -0.0151(3) 0.0829(17) Uani d . 1 . . C
  H5A 0.2103 1.1245 -0.0149 0.099 Uiso d R 1 . . H
  C6 0.2629(3) 1.0501(2) 0.0317(2) 0.0675(14) Uani d . 1 . . C
  H6A 0.2343 1.0537 0.0627 0.081 Uiso d R 1 . . H
  O2 0.2470(2) 0.97403(13) 0.15085(15) 0.0631(9) Uani d . 1 . . O
  C7 0.1720(3) 0.9334(2) 0.1425(2) 0.0535(11) Uani d . 1 . . C
  C8 0.1825(3) 0.8806(2) 0.1723(3) 0.0741(15) Uani d . 1 . . C
  H8A 0.2418 0.8686 0.1971 0.089 Uiso d R 1 . . H
  C9 0.1036(4) 0.8448(2) 0.1646(3) 0.0807(16) Uani d . 1 . . C
  H9A 0.1103 0.8085 0.1842 0.097 Uiso d R 1 . . H
  C10 0.0165(4) 0.8625(3) 0.1294(3) 0.0855(18) Uani d . 1 . . C
  H10A -0.0362 0.8384 0.1244 0.103 Uiso d R 1 . . H
  C11 0.0072(4) 0.9159(3) 0.1012(3) 0.101(2) Uani d . 1 . . C
  H11A -0.0524 0.9283 0.0771 0.121 Uiso d R 1 . . H
  C12 0.0847(4) 0.9523(2) 0.1069(3) 0.0792(16) Uani d . 1 . . C
  H12A 0.0778 0.9887 0.0876 0.095 Uiso d R 1 . . H
  O3 0.39010(19) 1.02286(12) 0.16866(14) 0.0593(8) Uani d . 1 . . O
  C13 0.4870(3) 1.03821(17) 0.1836(2) 0.0474(11) Uani d . 1 . . C
  C14 0.5185(4) 1.0685(2) 0.1412(2) 0.0721(14) Uani d . 1 . . C
  H14A 0.4775 1.0759 0.1021 0.087 Uiso d R 1 . . H
  C15 0.6113(4) 1.0875(2) 0.1575(3) 0.0846(17) Uani d . 1 . . C
  H15A 0.6329 1.1080 0.1291 0.101 Uiso d R 1 . . H
  C16 0.6715(4) 1.0774(2) 0.2147(3) 0.0849(17) Uani d . 1 . . C
  H16A 0.7339 1.0907 0.2251 0.102 Uiso d R 1 . . H
  C17 0.6397(4) 1.0461(3) 0.2564(3) 0.0882(17) Uani d . 1 . . C
  H17A 0.6809 1.0386 0.2954 0.106 Uiso d R 1 . . H
  C18 0.5466(4) 1.0265(2) 0.2409(2) 0.0686(14) Uani d . 1 . . C
  H18A 0.5248 1.0060 0.2693 0.082 Uiso d R 1 . . H
  P2 0.60485(8) 0.75506(5) 0.07574(5) 0.0460(3) Uani d . 1 . . P
  O4 0.7137(2) 0.76616(13) 0.07897(14) 0.0601(8) Uani d . 1 . . O
  C19 0.7889(3) 0.7450(2) 0.1288(2) 0.0551(12) Uani d . 1 . . C
  C20 0.8405(4) 0.6980(3) 0.1195(3) 0.100(2) Uani d . 1 . . C
  H20A 0.8234 0.6783 0.0821 0.120 Uiso d R 1 . . H
  C21 0.9190(6) 0.6805(4) 0.1679(5) 0.145(3) Uani d . 1 . . C
  H21A 0.9562 0.6492 0.1625 0.175 Uiso d R 1 . . H
  C22 0.9411(5) 0.7102(5) 0.2230(5) 0.143(4) Uani d . 1 . . C
  H22A 0.9934 0.6980 0.2549 0.172 Uiso d R 1 . . H
  C23 0.8877(5) 0.7553(4) 0.2311(3) 0.119(3) Uani d . 1 . . C
  H23A 0.9035 0.7738 0.2692 0.143 Uiso d R 1 . . H
  C24 0.8122(4) 0.7737(2) 0.1839(3) 0.0755(15) Uani d . 1 . . C
  H24A 0.7766 0.8058 0.1894 0.091 Uiso d R 1 . . H
  O5 0.5884(2) 0.68861(13) 0.05087(14) 0.0611(8) Uani d . 1 . . O
  C25 0.5432(3) 0.64745(18) 0.0794(2) 0.0473(11) Uani d . 1 . . C
  C26 0.4500(3) 0.6349(2) 0.0518(2) 0.0657(13) Uani d . 1 . . C
  H26A 0.4164 0.6542 0.0159 0.079 Uiso d R 1 . . H
  C27 0.4064(4) 0.5924(3) 0.0775(3) 0.0842(17) Uani d . 1 . . C
  H27A 0.3426 0.5835 0.0593 0.101 Uiso d R 1 . . H
  C28 0.4565(5) 0.5633(2) 0.1296(3) 0.0836(17) Uani d . 1 . . C
  H28A 0.4276 0.5345 0.1466 0.100 Uiso d R 1 . . H
  C29 0.5501(4) 0.5768(2) 0.1570(3) 0.0814(16) Uani d . 1 . . C
  H29A 0.5842 0.5570 0.1923 0.098 Uiso d R 1 . . H
  C30 0.5950(3) 0.6198(2) 0.1325(2) 0.0648(13) Uani d . 1 . . C
  H30A 0.6583 0.6295 0.1513 0.078 Uiso d R 1 . . H
  O6 0.56715(19) 0.79198(13) 0.01291(13) 0.0548(8) Uani d . 1 . . O
  C31 0.4683(3) 0.79549(19) -0.0182(2) 0.0480(11) Uani d . 1 . . C
  C32 0.4111(3) 0.83113(19) 0.0045(2) 0.0552(12) Uani d . 1 . . C
  H32A 0.4365 0.8523 0.0407 0.066 Uiso d R 1 . . H
  C33 0.3151(4) 0.8344(2) -0.0269(2) 0.0659(13) Uani d . 1 . . C
  H33A 0.2755 0.8574 -0.0114 0.079 Uiso d R 1 . . H
  C34 0.2780(3) 0.8042(2) -0.0811(3) 0.0689(14) Uani d . 1 . . C
  H34A 0.2135 0.8067 -0.1020 0.083 Uiso d R 1 . . H
  C35 0.3366(4) 0.7701(2) -0.1042(2) 0.0689(14) Uani d . 1 . . C
  H35A 0.3114 0.7501 -0.1411 0.083 Uiso d R 1 . . H
  C36 0.4327(3) 0.7653(2) -0.0724(2) 0.0594(12) Uani d . 1 . . C
  H36A 0.4722 0.7419 -0.0877 0.071 Uiso d R 1 . . H
  P3 0.70631(8) 0.87479(5) 0.37807(5) 0.0464(3) Uani d . 1 . . P
  O7 0.72356(19) 0.85007(13) 0.44650(12) 0.0554(8) Uani d . 1 . . O
  C37 0.6563(3) 0.82140(19) 0.4692(2) 0.0509(11) Uani d . 1 . . C
  C38 0.6935(4) 0.7842(2) 0.5180(2) 0.0664(13) Uani d . 1 . . C
  H38A 0.7588 0.7788 0.5336 0.080 Uiso d R 1 . . H
  C39 0.6333(5) 0.7551(3) 0.5437(3) 0.0962(19) Uani d . 1 . . C
  H39A 0.6579 0.7294 0.5764 0.115 Uiso d R 1 . . H
  C40 0.5376(5) 0.7632(3) 0.5210(3) 0.107(2) Uani d . 1 . . C
  H40A 0.4973 0.7433 0.5386 0.128 Uiso d R 1 . . H
  C41 0.5000(4) 0.8009(3) 0.4726(3) 0.103(2) Uani d . 1 . . C
  H41A 0.4346 0.8062 0.4573 0.123 Uiso d R 1 . . H
  C42 0.5614(4) 0.8312(2) 0.4464(2) 0.0779(16) Uani d . 1 . . C
  H42A 0.5373 0.8574 0.4142 0.093 Uiso d R 1 . . H
  O8 0.81908(19) 0.88216(13) 0.38909(13) 0.0567(8) Uani d . 1 . . O
  C43 0.8622(3) 0.89688(19) 0.3444(2) 0.0518(11) Uani d . 1 . . C
  C44 0.9580(4) 0.8867(2) 0.3592(3) 0.0785(16) Uani d . 1 . . C
  H44A 0.9906 0.8702 0.3970 0.094 Uiso d R 1 . . H
  C45 1.0058(4) 0.9008(3) 0.3164(4) 0.101(2) Uani d . 1 . . C
  H45A 1.0707 0.8938 0.3259 0.121 Uiso d R 1 . . H
  C46 0.9574(5) 0.9254(3) 0.2606(3) 0.0917(19) Uani d . 1 . . C
  H46A 0.9896 0.9345 0.2324 0.110 Uiso d R 1 . . H
  C47 0.8618(4) 0.9355(2) 0.2466(2) 0.0823(17) Uani d . 1 . . C
  H47A 0.8295 0.9522 0.2089 0.099 Uiso d R 1 . . H
  C48 0.8134(3) 0.9221(2) 0.2890(2) 0.0641(13) Uani d . 1 . . C
  H48A 0.7486 0.9295 0.2797 0.077 Uiso d R 1 . . H
  O9 0.6692(2) 0.94093(13) 0.38165(13) 0.0604(8) Uani d . 1 . . O
  C49 0.7096(4) 0.9796(2) 0.4322(2) 0.0643(13) Uani d . 1 . . C
  C50 0.6629(4) 0.9870(3) 0.4754(3) 0.0871(17) Uani d . 1 . . C
  H50A 0.6070 0.9668 0.4727 0.105 Uiso d R 1 . . H
  C51 0.7015(6) 1.0264(3) 0.5235(3) 0.115(2) Uani d . 1 . . C
  H51A 0.6712 1.0325 0.5534 0.138 Uiso d R 1 . . H
  C52 0.7836(7) 1.0557(3) 0.5268(3) 0.121(3) Uani d . 1 . . C
  H52A 0.8077 1.0825 0.5584 0.145 Uiso d R 1 . . H
  C53 0.8295(6) 1.0470(3) 0.4848(3) 0.116(3) Uani d . 1 . . C
  H53A 0.8864 1.0663 0.4880 0.140 Uiso d R 1 . . H
  C54 0.7927(5) 1.0085(2) 0.4362(2) 0.0924(19) Uani d . 1 . . C
  H54A 0.8236 1.0023 0.4067 0.111 Uiso d R 1 . . H
  P4 0.32984(8) 0.67512(5) 0.25106(6) 0.0536(3) Uani d . 1 . . P
  O10 0.22550(19) 0.69516(14) 0.25329(14) 0.0605(8) Uani d . 1 . . O
  C55 0.2161(3) 0.7194(2) 0.3078(2) 0.0556(12) Uani d . 1 . . C
  C56 0.1811(3) 0.6856(2) 0.3456(3) 0.0716(15) Uani d . 1 . . C
  H56A 0.1652 0.6466 0.3359 0.086 Uiso d R 1 . . H
  C57 0.1696(4) 0.7110(3) 0.3982(3) 0.094(2) Uani d . 1 . . C
  H57A 0.1447 0.6886 0.4238 0.112 Uiso d R 1 . . H
  C58 0.1942(4) 0.7680(4) 0.4130(3) 0.099(2) Uani d . 1 . . C
  H58A 0.1867 0.7841 0.4487 0.118 Uiso d R 1 . . H
  C59 0.2301(4) 0.8019(3) 0.3747(3) 0.0912(18) Uani d . 1 . . C
  H59A 0.2472 0.8407 0.3849 0.109 Uiso d R 1 . . H
  C60 0.2404(3) 0.7771(2) 0.3215(3) 0.0719(15) Uani d . 1 . . C
  H60A 0.2636 0.7998 0.2952 0.086 Uiso d R 1 . . H
  O11 0.2993(2) 0.63489(13) 0.19109(14) 0.0635(9) Uani d . 1 . . O
  C61 0.2287(4) 0.5901(2) 0.1778(2) 0.0664(14) Uani d . 1 . . C
  C62 0.2476(5) 0.5363(3) 0.2053(3) 0.0900(18) Uani d . 1 . . C
  H62A 0.3060 0.5287 0.2341 0.108 Uiso d R 1 . . H
  C63 0.1791(7) 0.4924(3) 0.1896(3) 0.110(2) Uani d . 1 . . C
  H63A 0.1907 0.4555 0.2078 0.132 Uiso d R 1 . . H
  C64 0.0934(6) 0.5041(4) 0.1470(4) 0.118(3) Uani d . 1 . . C
  H64A 0.0467 0.4753 0.1369 0.141 Uiso d R 1 . . H
  C65 0.0755(5) 0.5578(4) 0.1190(4) 0.119(2) Uani d . 1 . . C
  H65A 0.0175 0.5649 0.0895 0.143 Uiso d R 1 . . H
  C66 0.1440(4) 0.6021(3) 0.1346(3) 0.0897(17) Uani d . 1 . . C
  H66A 0.1326 0.6389 0.1160 0.108 Uiso d R 1 . . H
  O12 0.3524(2) 0.63009(14) 0.30831(15) 0.0692(9) Uani d . 1 . . O
  C67 0.4428(3) 0.61328(19) 0.3439(2) 0.0531(11) Uani d . 1 . . C
  C68 0.4656(5) 0.6227(3) 0.4050(3) 0.101(2) Uani d . 1 . . C
  H68A 0.4245 0.6426 0.4220 0.121 Uiso d R 1 . . H
  C69 0.5528(8) 0.6018(5) 0.4424(4) 0.158(4) Uani d . 1 . . C
  H69A 0.5708 0.6066 0.4849 0.190 Uiso d R 1 . . H
  C70 0.6118(7) 0.5731(4) 0.4165(6) 0.160(6) Uani d . 1 . . C
  H70A 0.6698 0.5584 0.4407 0.192 Uiso d R 1 . . H
  C71 0.5890(5) 0.5660(3) 0.3553(6) 0.138(3) Uani d . 1 . . C
  H71A 0.6307 0.5475 0.3378 0.166 Uiso d R 1 . . H
  C72 0.5036(4) 0.5862(3) 0.3193(3) 0.100(2) Uani d . 1 . . C
  H72A 0.4866 0.5807 0.2770 0.120 Uiso d R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cu1 0.0548(3) 0.0546(3) 0.0574(4) 0.0093(3) 0.0122(3) 0.0126(3)
  Cu2 0.0596(3) 0.0667(4) 0.0452(4) 0.0013(3) 0.0196(3) -0.0063(3)
  Cu3 0.0539(3) 0.0639(4) 0.0444(3) -0.0073(3) 0.0022(3) -0.0068(3)
  Cu4 0.0582(4) 0.0717(4) 0.0634(4) -0.0125(3) 0.0173(3) 0.0130(3)
  Cl1 0.0453(6) 0.0466(6) 0.0432(6) -0.0045(5) 0.0117(5) 0.0008(5)
  Cl2 0.0447(6) 0.0533(6) 0.0387(6) -0.0052(5) 0.0056(5) -0.0010(5)
  Cl3 0.0490(6) 0.0469(6) 0.0447(7) 0.0038(5) 0.0078(5) 0.0025(5)
  Cl4 0.0479(6) 0.0595(7) 0.0403(6) 0.0008(5) 0.0128(5) 0.0009(5)
  P1 0.0475(7) 0.0435(7) 0.0486(8) 0.0021(5) 0.0101(6) 0.0040(6)
  O1 0.097(2) 0.0436(18) 0.050(2) 0.0112(16) 0.0188(18) 0.0083(16)
  C1 0.062(3) 0.041(3) 0.045(3) -0.007(2) 0.002(2) 0.005(2)
  C2 0.082(4) 0.059(3) 0.066(4) -0.005(3) 0.018(3) 0.017(3)
  C3 0.118(5) 0.081(4) 0.082(5) -0.023(4) 0.029(4) 0.014(4)
  C4 0.119(5) 0.072(5) 0.070(5) -0.027(4) -0.006(4) 0.025(4)
  C5 0.078(4) 0.050(3) 0.092(5) -0.003(3) -0.019(3) 0.006(3)
  C6 0.068(3) 0.059(3) 0.064(4) 0.005(3) 0.002(3) 0.009(3)
  O2 0.0477(18) 0.0540(19) 0.085(2) 0.0027(15) 0.0159(17) -0.0011(17)
  C7 0.046(3) 0.060(3) 0.054(3) 0.000(2) 0.014(2) -0.009(3)
  C8 0.055(3) 0.078(4) 0.085(4) 0.001(3) 0.015(3) 0.009(3)
  C9 0.079(4) 0.074(4) 0.100(5) -0.013(3) 0.044(4) -0.006(3)
  C10 0.065(4) 0.100(5) 0.099(5) -0.022(3) 0.035(4) -0.029(4)
  C11 0.046(3) 0.119(6) 0.121(6) -0.006(4) 0.000(3) -0.010(5)
  C12 0.059(3) 0.081(4) 0.089(4) 0.002(3) 0.008(3) 0.005(3)
  O3 0.0501(18) 0.0496(18) 0.075(2) -0.0003(14) 0.0149(16) -0.0041(16)
  C13 0.052(3) 0.040(2) 0.048(3) 0.000(2) 0.012(2) 0.000(2)
  C14 0.086(4) 0.071(3) 0.052(3) -0.017(3) 0.010(3) 0.012(3)
  C15 0.085(4) 0.088(4) 0.084(5) -0.035(3) 0.030(4) 0.003(3)
  C16 0.065(4) 0.083(4) 0.105(5) -0.020(3) 0.023(4) -0.003(4)
  C17 0.071(4) 0.098(4) 0.074(4) -0.007(3) -0.011(3) 0.008(3)
  C18 0.072(3) 0.076(4) 0.057(4) -0.013(3) 0.018(3) 0.009(3)
  P2 0.0451(6) 0.0527(7) 0.0400(7) 0.0014(5) 0.0125(5) -0.0001(6)
  O4 0.0488(18) 0.078(2) 0.055(2) 0.0005(15) 0.0172(16) 0.0115(17)
  C19 0.041(3) 0.063(3) 0.062(3) 0.000(2) 0.017(2) 0.007(3)
  C20 0.077(4) 0.099(5) 0.123(6) 0.028(4) 0.026(4) -0.009(4)
  C21 0.092(6) 0.139(7) 0.201(10) 0.063(5) 0.037(7) 0.027(7)
  C22 0.058(5) 0.199(11) 0.149(9) 0.007(5) -0.004(5) 0.071(8)
  C23 0.077(5) 0.174(8) 0.086(5) -0.024(5) -0.008(4) 0.018(5)
  C24 0.067(4) 0.087(4) 0.066(4) -0.006(3) 0.010(3) 0.004(3)
  O5 0.083(2) 0.0523(19) 0.058(2) -0.0003(16) 0.0354(18) -0.0039(16)
  C25 0.058(3) 0.042(3) 0.045(3) 0.004(2) 0.019(2) -0.005(2)
  C26 0.066(3) 0.066(3) 0.061(3) 0.006(3) 0.011(3) 0.008(3)
  C27 0.069(4) 0.094(4) 0.084(5) -0.021(3) 0.015(3) -0.003(4)
  C28 0.104(5) 0.064(4) 0.098(5) -0.007(3) 0.052(4) 0.005(3)
  C29 0.095(4) 0.074(4) 0.076(4) 0.018(3) 0.028(4) 0.027(3)
  C30 0.054(3) 0.075(4) 0.061(3) 0.007(3) 0.010(3) 0.005(3)
  O6 0.0513(18) 0.068(2) 0.0431(18) -0.0001(15) 0.0109(14) 0.0097(15)
  C31 0.050(3) 0.051(3) 0.040(3) -0.001(2) 0.010(2) 0.012(2)
  C32 0.071(3) 0.055(3) 0.039(3) 0.007(2) 0.015(2) 0.005(2)
  C33 0.064(3) 0.073(4) 0.062(4) 0.013(3) 0.022(3) 0.015(3)
  C34 0.055(3) 0.072(4) 0.071(4) -0.008(3) 0.005(3) 0.017(3)
  C35 0.081(4) 0.059(3) 0.056(3) -0.015(3) 0.004(3) 0.000(3)
  C36 0.065(3) 0.060(3) 0.049(3) -0.002(2) 0.011(3) -0.004(3)
  P3 0.0483(7) 0.0514(7) 0.0347(7) -0.0023(5) 0.0051(5) -0.0003(5)
  O7 0.0564(18) 0.067(2) 0.0366(18) -0.0034(15) 0.0038(14) 0.0068(15)
  C37 0.056(3) 0.054(3) 0.039(3) 0.003(2) 0.010(2) -0.004(2)
  C38 0.071(3) 0.071(3) 0.055(3) 0.014(3) 0.017(3) 0.018(3)
  C39 0.106(5) 0.093(5) 0.094(5) 0.014(4) 0.038(4) 0.043(4)
  C40 0.097(5) 0.130(6) 0.095(5) -0.026(4) 0.033(4) 0.034(4)
  C41 0.062(4) 0.156(6) 0.082(5) -0.009(4) 0.010(3) 0.021(5)
  C42 0.068(4) 0.114(5) 0.049(3) -0.001(3) 0.013(3) 0.022(3)
  O8 0.0499(17) 0.073(2) 0.0399(18) -0.0097(15) 0.0026(14) 0.0000(15)
  C43 0.051(3) 0.056(3) 0.045(3) -0.010(2) 0.010(2) -0.008(2)
  C44 0.060(3) 0.073(4) 0.100(5) -0.001(3) 0.021(3) 0.010(3)
  C45 0.066(4) 0.107(5) 0.141(7) 0.006(3) 0.050(5) 0.004(5)
  C46 0.105(5) 0.087(4) 0.103(5) -0.019(4) 0.061(4) -0.021(4)
  C47 0.098(5) 0.090(4) 0.056(4) -0.036(3) 0.020(3) -0.002(3)
  C48 0.057(3) 0.073(3) 0.059(3) -0.018(2) 0.013(3) -0.007(3)
  O9 0.075(2) 0.059(2) 0.0387(19) 0.0082(16) 0.0042(16) -0.0015(16)
  C49 0.098(4) 0.051(3) 0.041(3) 0.003(3) 0.014(3) 0.000(2)
  C50 0.098(4) 0.088(4) 0.077(4) 0.015(3) 0.029(4) -0.018(4)
  C51 0.175(7) 0.097(5) 0.092(5) 0.008(5) 0.067(5) -0.031(4)
  C52 0.216(9) 0.062(4) 0.090(5) -0.031(5) 0.055(6) -0.027(4)
  C53 0.195(7) 0.084(5) 0.077(5) -0.068(5) 0.054(5) -0.023(4)
  C54 0.154(6) 0.075(4) 0.057(4) -0.044(4) 0.045(4) -0.018(3)
  P4 0.0501(7) 0.0605(8) 0.0516(8) -0.0020(6) 0.0173(6) 0.0124(6)
  O10 0.0494(18) 0.075(2) 0.057(2) 0.0036(15) 0.0145(16) 0.0063(17)
  C55 0.042(3) 0.065(3) 0.060(3) 0.004(2) 0.016(2) 0.008(3)
  C56 0.065(3) 0.076(4) 0.085(4) 0.006(3) 0.037(3) 0.020(3)
  C57 0.094(5) 0.119(6) 0.086(5) 0.027(4) 0.055(4) 0.032(4)
  C58 0.087(4) 0.148(7) 0.065(4) 0.025(4) 0.030(4) -0.006(5)
  C59 0.080(4) 0.098(5) 0.103(5) 0.004(3) 0.038(4) -0.020(4)
  C60 0.060(3) 0.081(4) 0.084(4) -0.001(3) 0.035(3) 0.012(3)
  O11 0.069(2) 0.065(2) 0.064(2) -0.0116(16) 0.0314(17) 0.0019(17)
  C61 0.079(4) 0.065(4) 0.064(4) -0.018(3) 0.035(3) -0.006(3)
  C62 0.115(5) 0.078(4) 0.072(4) -0.030(4) 0.021(3) 0.006(3)
  C63 0.184(8) 0.082(5) 0.075(5) -0.047(5) 0.054(5) -0.009(4)
  C64 0.139(7) 0.122(7) 0.114(7) -0.065(6) 0.072(6) -0.041(6)
  C65 0.079(5) 0.120(6) 0.146(7) -0.019(4) 0.015(4) -0.031(6)
  C66 0.078(4) 0.081(4) 0.105(5) -0.010(3) 0.020(4) -0.017(4)
  O12 0.057(2) 0.081(2) 0.070(2) 0.0036(17) 0.0211(18) 0.0315(19)
  C67 0.053(3) 0.049(3) 0.053(3) 0.000(2) 0.010(2) 0.009(2)
  C68 0.108(5) 0.114(5) 0.073(5) -0.019(4) 0.015(4) -0.005(4)
  C69 0.163(10) 0.198(12) 0.075(6) -0.074(8) -0.023(7) 0.038(7)
  C70 0.087(7) 0.115(8) 0.204(14) -0.034(5) -0.067(7) 0.075(9)
  C71 0.063(5) 0.096(5) 0.240(11) 0.017(4) 0.020(6) -0.010(7)
  C72 0.066(4) 0.110(5) 0.121(6) 0.012(3) 0.022(4) -0.022(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu1 P1 . 2.1482(12) yes
  Cu1 Cl4 . 2.3784(12) yes
  Cu1 Cl1 . 2.3916(11) yes
  Cu1 Cl2 . 2.4268(12) yes
  Cu2 P2 . 2.1541(12) yes
  Cu2 Cl2 . 2.3915(11) yes
  Cu2 Cl1 . 2.4453(11) yes
  Cu2 Cl3 . 2.4532(12) yes
  Cu3 P3 . 2.1663(12) yes
  Cu3 Cl3 . 2.3562(11) yes
  Cu3 Cl1 . 2.4744(11) yes
  Cu3 Cl4 . 2.4769(11) yes
  Cu4 P4 . 2.1558(13) yes
  Cu4 Cl3 . 2.3770(11) yes
  Cu4 Cl2 . 2.4079(12) yes
  Cu4 Cl4 . 2.5306(12) yes
  P1 O1 . 1.592(3) no
  P1 O3 . 1.596(3) no
  P1 O2 . 1.604(3) no
  O1 C1 . 1.407(5) no
  C1 C6 . 1.355(6) no
  C1 C2 . 1.368(6) no
  C2 C3 . 1.367(7) no
  C3 C4 . 1.360(8) no
  C4 C5 . 1.366(8) no
  C5 C6 . 1.390(7) no
  O2 C7 . 1.403(5) no
  C7 C8 . 1.358(6) no
  C7 C12 . 1.363(6) no
  C8 C9 . 1.381(6) no
  C9 C10 . 1.348(7) no
  C10 C11 . 1.356(8) no
  C11 C12 . 1.377(7) no
  O3 C13 . 1.403(5) no
  C13 C18 . 1.357(6) no
  C13 C14 . 1.368(6) no
  C14 C15 . 1.369(7) no
  C15 C16 . 1.351(7) no
  C16 C17 . 1.369(7) no
  C17 C18 . 1.377(6) no
  P2 O4 . 1.596(3) no
  P2 O5 . 1.599(3) no
  P2 O6 . 1.600(3) no
  O4 C19 . 1.404(5) no
  C19 C20 . 1.359(7) no
  C19 C24 . 1.359(7) no
  C20 C21 . 1.390(10) no
  C21 C22 . 1.368(11) no
  C22 C23 . 1.333(11) no
  C23 C24 . 1.355(8) no
  O5 C25 . 1.408(5) no
  C25 C26 . 1.351(6) no
  C25 C30 . 1.368(6) no
  C26 C27 . 1.378(7) no
  C27 C28 . 1.360(7) no
  C28 C29 . 1.360(7) no
  C29 C30 . 1.381(7) no
  O6 C31 . 1.411(5) no
  C31 C36 . 1.367(6) no
  C31 C32 . 1.371(6) no
  C32 C33 . 1.376(6) no
  C33 C34 . 1.369(7) no
  C34 C35 . 1.371(7) no
  C35 C36 . 1.381(6) no
  P3 O7 . 1.596(3) no
  P3 O9 . 1.604(3) no
  P3 O8 . 1.605(3) no
  O7 C37 . 1.401(5) no
  C37 C42 . 1.350(6) no
  C37 C38 . 1.368(6) no
  C38 C39 . 1.365(7) no
  C39 C40 . 1.354(8) no
  C40 C41 . 1.367(8) no
  C41 C42 . 1.399(7) no
  O8 C43 . 1.385(5) no
  C43 C44 . 1.362(6) no
  C43 C48 . 1.370(6) no
  C44 C45 . 1.394(7) no
  C45 C46 . 1.371(8) no
  C46 C47 . 1.360(7) no
  C47 C48 . 1.389(6) no
  O9 C49 . 1.422(5) no
  C49 C54 . 1.361(7) no
  C49 C50 . 1.364(7) no
  C50 C51 . 1.392(8) no
  C51 C52 . 1.356(9) no
  C52 C53 . 1.335(9) no
  C53 C54 . 1.381(7) no
  P4 O11 . 1.585(3) no
  P4 O12 . 1.605(3) no
  P4 O10 . 1.611(3) no
  O10 C55 . 1.397(5) no
  C55 C56 . 1.358(6) no
  C55 C60 . 1.365(6) no
  C56 C57 . 1.380(7) no
  C57 C58 . 1.356(8) no
  C58 C59 . 1.375(8) no
  C59 C60 . 1.379(7) no
  O11 C61 . 1.415(5) no
  C61 C66 . 1.359(7) no
  C61 C62 . 1.360(7) no
  C62 C63 . 1.381(8) no
  C63 C64 . 1.361(9) no
  C64 C65 . 1.359(9) no
  C65 C66 . 1.390(8) no
  O12 C67 . 1.383(5) no
  C67 C72 . 1.333(7) no
  C67 C68 . 1.342(7) no
  C68 C69 . 1.388(11) no
  C69 C70 . 1.350(13) no
  C70 C71 . 1.334(13) no
  C71 C72 . 1.353(9) no
_cod_database_code 2008139