#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007196.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2007196
loop_
_publ_author_name
'Mague, J. T.'
_publ_section_title
;
 Luminescent Cu^I^ Clusters.
 Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium)
 Hexaiodotetracuprate(I)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              IUC9800010
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[K(C15 H33 N O6)]2 [Cu4 I6]'
_chemical_formula_moiety         '2(C15 H33 K N O6 1+) , Cu4 I6 2-'
_chemical_formula_sum            'C30 H66 Cu4 I6 K2 N2 O12'
_chemical_formula_weight         1740.61
_chemical_name_systematic
;
[tris(2-(2-methoxyethoxy)ethyl)amine]potassium hexaiodotetracuprate(I)
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1045(10)
_cell_length_b                   21.6675(12)
_cell_length_c                   21.1669(14)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.13
_cell_measurement_theta_min      17.69
_cell_volume                     5551.5(7)
_computing_cell_refinement       'CAD-4 (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 (Enraf-Nonius, 1989)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1987)'
_computing_molecular_graphics    'SHELXTL-PLUS (Siemens, 1994)'
_computing_publication_material  'SHELXTL-PLUS (Siemens, 1994)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5436
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    5.045
_exptl_absorpt_correction_T_max  0.0971
_exptl_absorpt_correction_T_min  0.0489
_exptl_absorpt_correction_type   'psi scans'
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            gold-yellow
_exptl_crystal_density_diffrn    2.083
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    none
_exptl_crystal_description       Block
_exptl_crystal_F_000             3312
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.685
_refine_diff_density_min         -0.591
_refine_ls_extinction_coef       0.00060(3)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.012
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         5420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_restrained_S_obs      1.102
_refine_ls_R_factor_all          0.1039
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          -0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0335P)^2^+4.9857P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0931
_refine_ls_wR_factor_ref         0.0723
_reflns_number_gt                3067
_reflns_number_total             5436
_reflns_threshold_expression     >2sigma(I)
_[local]_cod_data_source_file    qb0033.cif
_[local]_cod_data_source_block   1
_[local]_cod_chemical_formula_sum_orig 'C30 H66 Cu4 I6 K2 N2 O12 '
_cod_database_code               2007196
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'
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_group
_atom_site_type_symbol
I1 0.64899(4) 0.11516(2) 0.24593(2) 0.0716(2) Uani d . 1 . I
I2 0.51714(4) 0.30076(2) 0.23779(2) 0.0709(2) Uani d . 1 . I
I3 0.7500 0.2500 0.39231(2) 0.0588(2) Uani d S 0.5 . I
I4 0.7500 0.2500 0.08955(2) 0.0631(2) Uani d S 0.5 . I
Cu1 0.65047(8) 0.22108(4) 0.19176(4) 0.0628(3) Uani d P 0.8659(14) 1 Cu
Cu2 0.79094(8) 0.19206(4) 0.28914(4) 0.0625(3) Uani d P 0.8659(14) 1 Cu
Cu1A 0.7899(5) 0.1922(3) 0.1940(3) 0.064(2) Uani d P 0.1341(14) 2 Cu
Cu2A 0.8510(5) 0.2768(3) 0.2905(2) 0.055(2) Uani d P 0.1341(14) 2 Cu
K 0.25674(12) 0.42303(6) 0.45377(6) 0.0573(3) Uani d . 1 . K
O1 0.2111(4) 0.5262(2) 0.5197(2) 0.0678(12) Uani d . 1 . O
O2 0.1161(4) 0.5132(2) 0.3991(2) 0.0779(14) Uani d . 1 . O
O3 0.1073(4) 0.3441(2) 0.5028(2) 0.0736(13) Uani d . 1 . O
O4 0.1741(4) 0.3331(3) 0.3773(3) 0.104(2) Uani d . 1 . O
O5 0.4431(3) 0.3786(2) 0.5121(2) 0.0638(11) Uani d . 1 . O
O6 0.4631(4) 0.4436(2) 0.3967(2) 0.0741(13) Uani d . 1 . O
N 0.2542(5) 0.4115(3) 0.5881(2) 0.0629(13) Uani d . 1 . N
C1 0.2628(7) 0.4743(3) 0.6140(3) 0.077(2) Uani d . 1 . C
H1A 0.3387 0.4879 0.6099 0.092 Uiso calc R 1 . H
H1B 0.2459 0.4726 0.6588 0.092 Uiso calc R 1 . H
C2 0.1895(6) 0.5214(3) 0.5841(3) 0.077(2) Uani d . 1 . C
H2A 0.1129 0.5099 0.5904 0.093 Uiso calc R 1 . H
H2B 0.2014 0.5612 0.6041 0.093 Uiso calc R 1 . H
C3 0.1472(7) 0.5729(3) 0.4893(4) 0.080(2) Uani d . 1 . C
H3A 0.1705 0.6133 0.5038 0.096 Uiso calc R 1 . H
H3B 0.0697 0.5677 0.4997 0.096 Uiso calc R 1 . H
C4 0.1629(7) 0.5680(3) 0.4195(4) 0.079(2) Uani d . 1 . C
H4A 0.1278 0.6026 0.3985 0.095 Uiso calc R 1 . H
H4B 0.2411 0.5686 0.4094 0.095 Uiso calc R 1 . H
C5 0.1051(7) 0.5107(4) 0.3323(4) 0.091(2) Uani d . 1 . C
H5A 0.0685 0.4731 0.3206 0.109 Uiso calc R 1 . H
H5B 0.1770 0.5120 0.3132 0.109 Uiso calc R 1 . H
H5C 0.0624 0.5454 0.3181 0.109 Uiso calc R 1 . H
C6 0.1463(6) 0.3840(4) 0.6048(3) 0.083(2) Uani d . 1 . C
H6A 0.0892 0.4149 0.5986 0.100 Uiso calc R 1 . H
H6B 0.1471 0.3734 0.6493 0.100 Uiso calc R 1 . H
C7 0.1163(6) 0.3273(3) 0.5674(4) 0.085(2) Uani d . 1 . C
H7A 0.1728 0.2959 0.5725 0.101 Uiso calc R 1 . H
H7B 0.0467 0.3106 0.5823 0.101 Uiso calc R 1 . H
C8 0.0732(7) 0.2939(4) 0.4636(4) 0.101(3) Uani d . 1 . C
H8A 0.0011 0.2793 0.4769 0.121 Uiso calc R 1 . H
H8B 0.1253 0.2601 0.4673 0.121 Uiso calc R 1 . H
C9 0.0682(7) 0.3153(4) 0.3978(4) 0.101(3) Uani d . 1 . C
H9A 0.0404 0.2825 0.3711 0.121 Uiso calc R 1 . H
H9B 0.0180 0.3501 0.3947 0.121 Uiso calc R 1 . H
C10 0.1857(8) 0.3344(5) 0.3126(5) 0.134(4) Uani d . 1 . C
H10A 0.2595 0.3468 0.3020 0.161 Uiso calc R 1 . H
H10B 0.1340 0.3633 0.2950 0.161 Uiso calc R 1 . H
H10C 0.1716 0.2940 0.2957 0.161 Uiso calc R 1 . H
C11 0.3445(7) 0.3722(4) 0.6085(3) 0.087(2) Uani d . 1 . C
H11A 0.3253 0.3296 0.5995 0.105 Uiso calc R 1 . H
H11B 0.3527 0.3761 0.6539 0.105 Uiso calc R 1 . H
C12 0.4544(6) 0.3863(4) 0.5776(3) 0.080(2) Uani d . 1 . C
H12A 0.4763 0.4284 0.5871 0.096 Uiso calc R 1 . H
H12B 0.5108 0.3587 0.5937 0.096 Uiso calc R 1 . H
C13 0.5437(6) 0.3876(4) 0.4796(4) 0.079(2) Uani d . 1 . C
H13A 0.5942 0.3542 0.4893 0.095 Uiso calc R 1 . H
H13B 0.5773 0.4260 0.4931 0.095 Uiso calc R 1 . H
C14 0.5230(6) 0.3896(3) 0.4101(4) 0.074(2) Uani d . 1 . C
H14A 0.5926 0.3898 0.3873 0.089 Uiso calc R 1 . H
H14B 0.4812 0.3536 0.3971 0.089 Uiso calc R 1 . H
C15 0.4536(7) 0.4551(3) 0.3306(4) 0.088(2) Uani d . 1 . C
H15A 0.5259 0.4578 0.3123 0.106 Uiso calc R 1 . H
H15B 0.4148 0.4932 0.3240 0.106 Uiso calc R 1 . H
H15C 0.4135 0.4219 0.3111 0.106 Uiso calc 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
I1 0.0969(4) 0.0535(2) 0.0644(3) -0.0126(2) 0.0077(2) 0.0002(2)
I2 0.0662(3) 0.0853(3) 0.0611(3) 0.0183(2) -0.0006(2) 0.0143(2)
I3 0.0620(4) 0.0774(4) 0.0372(3) 0.0088(3) 0.000 0.000
I4 0.0900(4) 0.0621(4) 0.0373(3) -0.0002(4) 0.000 0.000
Cu1 0.0694(6) 0.0689(6) 0.0502(5) -0.0065(5) -0.0035(5) 0.0031(4)
Cu2 0.0745(6) 0.0620(6) 0.0510(5) 0.0107(5) -0.0021(5) 0.0001(4)
Cu1A 0.086(5) 0.056(3) 0.049(3) 0.006(3) 0.008(3) -0.003(3)
Cu2A 0.061(3) 0.058(3) 0.047(3) -0.005(3) -0.004(3) 0.000(2)
K 0.0545(8) 0.0621(8) 0.0554(7) -0.0019(7) -0.0015(7) -0.0015(6)
O1 0.065(3) 0.071(3) 0.067(3) 0.000(2) 0.007(2) -0.008(2)
O2 0.088(4) 0.062(3) 0.084(3) -0.010(3) -0.016(3) 0.009(2)
O3 0.074(3) 0.068(3) 0.078(3) -0.021(2) -0.004(3) -0.003(2)
O4 0.081(4) 0.141(5) 0.089(4) -0.043(4) 0.010(3) -0.042(4)
O5 0.052(3) 0.078(3) 0.061(3) -0.002(2) -0.006(2) 0.002(2)
O6 0.078(3) 0.068(3) 0.076(3) 0.014(2) 0.015(3) 0.011(2)
N 0.059(3) 0.077(4) 0.053(3) -0.015(3) 0.002(3) 0.004(3)
C1 0.085(5) 0.097(6) 0.049(4) -0.026(4) 0.000(4) -0.009(4)
C2 0.074(5) 0.077(5) 0.081(5) 0.001(4) 0.014(4) -0.016(4)
C3 0.076(5) 0.058(4) 0.107(6) 0.011(4) -0.006(5) -0.006(4)
C4 0.079(5) 0.055(4) 0.102(6) 0.001(4) -0.011(5) 0.003(4)
C5 0.090(6) 0.111(6) 0.072(5) -0.004(5) -0.002(4) 0.008(4)
C6 0.077(5) 0.111(6) 0.062(4) -0.031(5) 0.022(4) -0.004(4)
C7 0.075(5) 0.085(5) 0.094(6) -0.027(4) 0.009(4) 0.011(5)
C8 0.094(6) 0.079(6) 0.130(8) -0.039(5) 0.001(6) -0.020(5)
C9 0.096(7) 0.118(7) 0.090(6) -0.036(6) 0.000(5) -0.031(5)
C10 0.119(8) 0.164(10) 0.119(8) -0.040(7) 0.017(7) -0.062(8)
C11 0.098(6) 0.110(7) 0.054(4) -0.002(5) -0.007(4) 0.012(4)
C12 0.067(5) 0.105(6) 0.067(5) 0.004(4) -0.017(4) 0.002(4)
C13 0.049(4) 0.095(5) 0.093(6) 0.008(4) 0.006(4) 0.008(4)
C14 0.069(5) 0.066(4) 0.086(5) 0.016(4) 0.021(4) 0.010(4)
C15 0.106(7) 0.080(5) 0.079(6) -0.009(5) -0.009(5) 0.009(4)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
Cu2 I1 Cu1 . . 64.73(3)
Cu2A I1 Cu1A 2_655 . 64.4(2)
Cu1 I2 Cu2 . 2_655 68.36(3)
Cu1A I2 Cu2A 2_655 2_655 67.9(2)
Cu2A I3 Cu2A 2_655 . 64.3(2)
Cu2 I3 Cu2 . 2_655 63.43(4)
Cu1 I4 Cu1 2_655 . 64.23(4)
Cu1A I4 Cu1A 2_655 . 62.5(2)
I4 Cu1 I2 . . 117.06(4)
I4 Cu1 I1 . . 126.96(4)
I2 Cu1 I1 . . 115.43(4)
I4 Cu1 Cu1 . 2_655 57.89(2)
I2 Cu1 Cu1 . 2_655 104.39(5)
I1 Cu1 Cu1 . 2_655 114.77(5)
I4 Cu1 Cu2 . . 113.58(4)
I2 Cu1 Cu2 . . 105.05(4)
I1 Cu1 Cu2 . . 57.58(3)
Cu1 Cu1 Cu2 2_655 . 63.65(3)
I4 Cu1 Cu2 . 2_655 109.25(4)
I2 Cu1 Cu2 . 2_655 56.04(3)
I1 Cu1 Cu2 . 2_655 105.46(4)
Cu1 Cu1 Cu2 2_655 2_655 58.66(3)
Cu2 Cu1 Cu2 . 2_655 57.30(4)
I1 Cu2 I3 . . 119.49(4)
I1 Cu2 I2 . 2_655 119.65(4)
I3 Cu2 I2 . 2_655 120.31(4)
I1 Cu2 Cu2 . 2_655 111.02(5)
I3 Cu2 Cu2 . 2_655 58.28(2)
I2 Cu2 Cu2 2_655 2_655 106.00(5)
I1 Cu2 Cu1 . . 57.70(3)
I3 Cu2 Cu1 . . 114.03(4)
I2 Cu2 Cu1 2_655 . 103.21(4)
Cu2 Cu2 Cu1 2_655 . 63.86(3)
I1 Cu2 Cu1 . 2_655 109.55(4)
I3 Cu2 Cu1 . 2_655 109.68(4)
I2 Cu2 Cu1 2_655 2_655 55.60(3)
Cu2 Cu2 Cu1 2_655 2_655 58.84(3)
Cu1 Cu2 Cu1 . 2_655 57.68(4)
I2 Cu1A I4 2_655 . 117.3(2)
I2 Cu1A I1 2_655 . 119.1(2)
I4 Cu1A I1 . . 122.9(3)
I2 Cu1A Cu1A 2_655 2_655 106.1(3)
I4 Cu1A Cu1A . 2_655 58.73(12)
I1 Cu1A Cu1A . 2_655 111.0(3)
I2 Cu1A Cu2A 2_655 2_655 106.7(2)
I4 Cu1A Cu2A . 2_655 113.7(2)
I1 Cu1A Cu2A . 2_655 56.0(2)
Cu1A Cu1A Cu2A 2_655 2_655 63.1(2)
I2 Cu1A Cu2A 2_655 . 57.0(2)
I4 Cu1A Cu2A . . 110.5(2)
I1 Cu1A Cu2A . . 106.1(2)
Cu1A Cu1A Cu2A 2_655 . 59.5(2)
Cu2A Cu1A Cu2A 2_655 . 57.9(3)
I1 Cu2A I3 2_655 . 121.9(2)
I1 Cu2A I2 2_655 2_655 116.4(2)
I3 Cu2A I2 . 2_655 121.1(2)
I1 Cu2A Cu2A 2_655 2_655 113.5(3)
I3 Cu2A Cu2A . 2_655 57.86(12)
I2 Cu2A Cu2A 2_655 2_655 106.2(3)
I1 Cu2A Cu1A 2_655 2_655 59.7(2)
I3 Cu2A Cu1A . 2_655 112.8(3)
I2 Cu2A Cu1A 2_655 2_655 102.9(2)
Cu2A Cu2A Cu1A 2_655 2_655 62.8(2)
I1 Cu2A Cu1A 2_655 . 109.2(2)
I3 Cu2A Cu1A . . 109.6(2)
I2 Cu2A Cu1A 2_655 . 55.1(2)
Cu2A Cu2A Cu1A 2_655 . 59.2(2)
Cu1A Cu2A Cu1A 2_655 . 57.4(3)
O1 K O3 . . 100.94(15)
O1 K O4 . . 145.8(2)
O3 K O4 . . 61.9(2)
O1 K O5 . . 103.08(14)
O3 K O5 . . 98.96(14)
O4 K O5 . . 108.6(2)
O1 K O6 . . 105.88(14)
O3 K O6 . . 149.53(15)
O4 K O6 . . 100.6(2)
O5 K O6 . . 61.23(14)
O1 K O2 . . 61.10(14)
O3 K O2 . . 101.02(15)
O4 K O2 . . 91.7(2)
O5 K O2 . . 156.55(14)
O6 K O2 . . 104.40(14)
O1 K N . . 63.5(2)
O3 K N . . 63.53(15)
O4 K N . . 121.7(2)
O5 K N . . 62.0(2)
O6 K N . . 116.8(2)
O2 K N . . 117.4(2)
C2 O1 C3 . . 113.1(5)
C2 O1 K . . 119.0(4)
C3 O1 K . . 117.8(4)
C4 O2 C5 . . 112.4(6)
C4 O2 K . . 102.6(4)
C5 O2 K . . 115.9(4)
C7 O3 C8 . . 112.7(6)
C7 O3 K . . 118.8(4)
C8 O3 K . . 117.0(5)
C10 O4 C9 . . 114.0(6)
C10 O4 K . . 122.7(5)
C9 O4 K . . 110.2(4)
C12 O5 C13 . . 112.5(5)
C12 O5 K . . 118.8(4)
C13 O5 K . . 116.1(4)
C14 O6 C15 . . 112.6(5)
C14 O6 K . . 103.9(4)
C15 O6 K . . 112.1(4)
C11 N C1 . . 112.3(6)
C11 N C6 . . 111.0(6)
C1 N C6 . . 110.2(6)
C11 N K . . 109.8(4)
C1 N K . . 106.9(4)
C6 N K . . 106.5(4)
N C1 C2 . . 115.6(6)
O1 C2 C1 . . 110.8(6)
O1 C3 C4 . . 109.0(6)
O2 C4 C3 . . 108.5(6)
N C6 C7 . . 114.5(6)
O3 C7 C6 . . 108.4(6)
O3 C8 C9 . . 108.8(6)
O4 C9 C8 . . 110.0(7)
N C11 C12 . . 114.5(6)
O5 C12 C11 . . 108.5(6)
O5 C13 C14 . . 109.9(6)
O6 C14 C13 . . 108.0(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
I1 Cu2A 2_655 2.523(5)
I1 Cu2 . 2.5622(11)
I1 Cu1 . 2.5656(10)
I1 Cu1A . 2.628(6)
I2 Cu1A 2_655 2.517(7)
I2 Cu1 . 2.5563(11)
I2 Cu2 2_655 2.5695(11)
I2 Cu2A 2_655 2.573(6)
I3 Cu2A 2_655 2.545(6)
I3 Cu2A . 2.545(6)
I3 Cu2 . 2.5674(10)
I3 Cu2 2_655 2.5674(10)
I4 Cu1 2_655 2.5544(10)
I4 Cu1 . 2.5544(10)
I4 Cu1A 2_655 2.587(6)
I4 Cu1A . 2.587(6)
Cu1 Cu1 2_655 2.716(2)
Cu1 Cu2 . 2.7449(13)
Cu1 Cu2 2_655 2.8798(13)
Cu2 I2 2_655 2.5695(11)
Cu2 Cu2 2_655 2.699(2)
Cu2 Cu1 2_655 2.8798(13)
Cu1A I2 2_655 2.517(7)
Cu1A Cu1A 2_655 2.685(12)
Cu1A Cu2A 2_655 2.745(8)
Cu1A Cu2A . 2.843(8)
Cu2A I1 2_655 2.523(5)
Cu2A I2 2_655 2.573(6)
Cu2A Cu2A 2_655 2.707(11)
Cu2A Cu1A 2_655 2.745(8)
K O1 . 2.691(4)
K O3 . 2.698(5)
K O4 . 2.724(5)
K O5 . 2.746(4)
K O6 . 2.811(5)
K O2 . 2.838(5)
K N . 2.854(5)
O1 C2 . 1.393(8)
O1 C3 . 1.427(8)
O2 C4 . 1.384(8)
O2 C5 . 1.420(8)
O3 C7 . 1.420(8)
O3 C8 . 1.427(8)
O4 C10 . 1.376(10)
O4 C9 . 1.408(9)
O5 C12 . 1.403(8)
O5 C13 . 1.412(7)
O6 C14 . 1.405(7)
O6 C15 . 1.425(8)
N C11 . 1.452(9)
N C1 . 1.471(8)
N C6 . 1.478(8)
C1 C2 . 1.494(9)
C3 C4 . 1.493(10)
C6 C7 . 1.508(9)
C8 C9 . 1.469(11)
C11 C12 . 1.512(10)
C13 C14 . 1.492(10)