#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200800.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_2200800
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m491
_journal_page_last  m493
_publ_section_title
;
A heteroleptic tetranuclear copper amide/aryl complex:
1,4:2,3-bis(\m-2,4,6-trimethylphenyl-C:C)-1,2:3,4-bis[\m-
bis(trimethylsilyl)amido-N:N]tetracopper(I)
;
loop_
_publ_author_name
  'Niemeyer, Mark'
_chemical_formula_moiety  'C30 H58 Cu4 N2 Si4'
_chemical_formula_sum  'C30 H58 Cu4 N2 Si4'
_chemical_formula_iupac  '[Cu4 (C9 H11)2 (C6 H18 N Si2)2]'
_chemical_formula_weight  813.30
_chemical_melting_point  '465-467 K'
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  9.171(2)
_cell_length_b  11.353(2)
_cell_length_c  20.314(4)
_cell_angle_alpha  101.980(10)
_cell_angle_beta  94.56(2)
_cell_angle_gamma  107.28(2)
_cell_volume  1952.9(7)
_cell_formula_units_Z  2
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  1.383
_diffrn_ambient_temperature  173(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  .32745(4)  .35367(3)  .328167(16)  .02401(9) Uani d . 1 . . Cu
  Cu2  .10413(4)  .13800(3)  .285654(16)  .02295(9) Uani d . 1 . . Cu
  Cu3  .10169(4)  .15851(3)  .168782(16)  .02346(9) Uani d . 1 . . Cu
  Cu4  .31363(4)  .38131(3)  .212679(16)  .02400(9) Uani d . 1 . . Cu
  N1  .2295(3)  .2237(2)  .37355(11)  .0240(4) Uani d . 1 . . N
  N2  .2152(3)  .2807(2)  .12219(11)  .0253(5) Uani d . 1 . . N
  Si11  .34403(9)  .13235(7)  .39200(4)  .02679(16) Uani d . 1 . . Si
  Si12  .13183(9)  .28767(7)  .43477(4)  .02869(17) Uani d . 1 . . Si
  Si21  .34072(10)  .21827(8)  .07715(4)  .03107(17) Uani d . 1 . . Si
  Si22  .09807(9)  .35098(7)  .08201(4)  .02985(17) Uani d . 1 . . Si
  C11  -.0446(3)  .0280(2)  .20408(13)  .0247(5) Uani d . 1 . . C
  C12  -.1908(3)  .0465(3)  .20073(13)  .0262(5) Uani d . 1 . . C
  C13  -.3266(3)  -.0559(3)  .18553(14)  .0333(6) Uani d . 1 . . C
  H13A  -.4228  -.0401  .1838  .030(8) Uiso calc R 1 . . H
  C14  -.3258(4)  -.1800(3)  .17292(15)  .0363(7) Uani d . 1 . . C
  C15  -.1839(4)  -.2004(3)  .17641(14)  .0347(7) Uani d . 1 . . C
  H15A  -.1816  -.2853  .1685  .039(9) Uiso calc R 1 . . H
  C16  -.0448(4)  -.1007(3)  .19112(14)  .0303(6) Uani d . 1 . . C
  C17  -.2033(3)  .1791(3)  .21281(16)  .0340(6) Uani d . 1 . . C
  H17A  -.2772  .1873  .2443  .047(10) Uiso calc R 1 . . H
  H17B  -.2388  .1941  .1695  .060(12) Uiso calc R 1 . . H
  H17C  -.1018  .2417  .2324  .040(9) Uiso calc R 1 . . H
  C18  -.4730(4)  -.2901(3)  .15482(19)  .0544(10) Uani d . 1 . . C
  H18A  -.4615  -.3574  .1761  .082 Uiso calc R 1 . . H
  H18B  -.4961  -.3229  .1053  .082 Uiso calc R 1 . . H
  H18C  -.5577  -.2619  .1712  .082 Uiso calc R 1 . . H
  C19  .1027(4)  -.1332(3)  .19181(18)  .0419(8) Uani d . 1 . . C
  H19A  .1004  -.1937  .2201  .087(16) Uiso calc R 1 . . H
  H19B  .1906  -.0557  .2105  .068(13) Uiso calc R 1 . . H
  H19C  .1130  -.1715  .1453  .073(14) Uiso calc R 1 . . H
  C21  .4342(3)  .5077(2)  .29772(13)  .0256(5) Uani d . 1 . . C
  C22  .3784(3)  .6119(3)  .31896(14)  .0279(6) Uani d . 1 . . C
  C23  .4805(4)  .7359(3)  .33778(14)  .0318(6) Uani d . 1 . . C
  H23A  .4406  .8040  .3512  .045(10) Uiso calc R 1 . . H
  C24  .6372(4)  .7633(3)  .33762(14)  .0309(6) Uani d . 1 . . C
  C25  .6937(3)  .6623(3)  .31797(14)  .0301(6) Uani d . 1 . . C
  H25A  .8016  .6794  .3180  .031(8) Uiso calc R 1 . . H
  C26  .5966(3)  .5375(3)  .29840(14)  .0268(5) Uani d . 1 . . C
  C27  .2111(4)  .5922(3)  .32395(18)  .0391(7) Uani d . 1 . . C
  H27A  .1753  .6481  .3005  .061(12) Uiso calc R 1 . . H
  H27B  .1979  .6122  .3720  .068(13) Uiso calc R 1 . . H
  H27C  .1505  .5034  .3026  .055(11) Uiso calc R 1 . . H
  C28  .7445(4)  .8987(3)  .35692(17)  .0419(8) Uani d . 1 . . C
  H28A  .7204  .9446  .3989  .065(13) Uiso calc R 1 . . H
  H28B  .7312  .9403  .3202  .110(19) Uiso calc R 1 . . H
  H28C  .8516  .8992  .3642  .070(14) Uiso calc R 1 . . H
  C29  .6687(4)  .4347(3)  .27860(19)  .0415(7) Uani d . 1 . . C
  H29A  .7475  .4610  .2500  .087(16) Uiso calc R 1 . . H
  H29B  .5888  .3560  .2532  .061(12) Uiso calc R 1 . . H
  H29C  .7167  .4201  .3197  .078(15) Uiso calc R 1 . . H
  C111  .4772(5)  .2068(4)  .47436(18)  .0530(9) Uani d . 1 . . C
  H11A  .5479  .2893  .4723  .102(19) Uiso calc R 1 . . H
  H11B  .5368  .1512  .4827  .080(15) Uiso calc R 1 . . H
  H11C  .4168  .2189  .5114  .083(16) Uiso calc R 1 . . H
  C112  .2223(4)  -.0306(3)  .39538(19)  .0433(8) Uani d . 1 . . C
  H11D  .1625  -.0762  .3504  .069(13) Uiso calc R 1 . . H
  H11E  .1517  -.0235  .4286  .057(11) Uiso calc R 1 . . H
  H11F  .2892  -.0774  .4090  .049(10) Uiso calc R 1 . . H
  C113  .4679(4)  .1143(3)  .32472(17)  .0402(7) Uani d . 1 . . C
  H11G  .5485  .1957  .3288  .062(12) Uiso calc R 1 . . H
  H11H  .4043  .0878  .2798  .093(17) Uiso calc R 1 . . H
  H11I  .5159  .0498  .3302  .084(15) Uiso calc R 1 . . H
  C121  .2607(5)  .4435(3)  .4887(2)  .0518(9) Uani d . 1 . . C
  H12A  .2944  .5030  .4600  .076(14) Uiso calc R 1 . . H
  H12B  .3512  .4315  .5119  .11(2) Uiso calc R 1 . . H
  H12C  .2043  .4780  .5226  .067(13) Uiso calc R 1 . . H
  C122  .0612(4)  .1831(3)  .49310(16)  .0420(8) Uani d . 1 . . C
  H12D  -.0078  .1002  .4664  .083(16) Uiso calc R 1 . . H
  H12E  .0049  .2225  .5251  .085(15) Uiso calc R 1 . . H
  H12F  .1495  .1716  .5184  .054(11) Uiso calc R 1 . . H
  C123  -.0434(4)  .3105(4)  .39304(18)  .0473(8) Uani d . 1 . . C
  H12G  -.0124  .3689  .3635  .068(13) Uiso calc R 1 . . H
  H12H  -.0966  .3462  .4280  .071(13) Uiso calc R 1 . . H
  H12I  -.1130  .2284  .3657  .104(19) Uiso calc R 1 . . H
  C211  .5213(4)  .3448(4)  .0725(2)  .0574(10) Uani d . 1 . . C
  H21A  .5738  .3910  .1187  .079(16) Uiso calc R 1 . . H
  H21B  .4954  .4041  .0485  .104(19) Uiso calc R 1 . . H
  H21C  .5896  .3059  .0479  .088(16) Uiso calc R 1 . . H
  C212  .3986(4)  .1042(3)  .11940(17)  .0420(8) Uani d . 1 . . C
  H21D  .3083  .0295  .1162  .056(12) Uiso calc R 1 . . H
  H21E  .4398  .1457  .1674  .048(10) Uiso calc R 1 . . H
  H21F  .4781  .0776  .0967  .095(17) Uiso calc R 1 . . H
  C213  .2459(5)  .1254(4)  -.01054(17)  .0548(10) Uani d . 1 . . C
  H21G  .1571  .0536  -.0080  .12(2) Uiso calc R 1 . . H
  H21H  .3200  .0934  -.0348  .085(16) Uiso calc R 1 . . H
  H21I  .2108  .1803  -.0350  .092(17) Uiso calc R 1 . . H
  C221  .1995(4)  .4433(3)  .02303(18)  .0434(8) Uani d . 1 . . C
  H22A  .2275  .3859  -.0131  .068(13) Uiso calc R 1 . . H
  H22B  .2931  .5100  .0486  .104(19) Uiso calc R 1 . . H
  H22C  .1307  .4821  .0028  .069(13) Uiso calc R 1 . . H
  C222  .0391(4)  .4652(3)  .14580(18)  .0456(8) Uani d . 1 . . C
  H22D  -.0038  .4237  .1809  .060(12) Uiso calc R 1 . . H
  H22E  -.0392  .4922  .1231  .083(15) Uiso calc R 1 . . H
  H22F  .1294  .5395  .1669  .059(12) Uiso calc R 1 . . H
  C223  -.0814(4)  .2305(3)  .03035(19)  .0466(8) Uani d . 1 . . C
  H22G  -.1372  .1788  .0591  .076(14) Uiso calc R 1 . . H
  H22H  -.0541  .1756  -.0073  .086(16) Uiso calc R 1 . . H
  H22I  -.1471  .2738  .0120  .087(16) 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
  Cu1  .02903(17)  .01992(16)  .02474(17)  .00779(13)  .00697(13)  .00799(12)
  Cu2  .02659(17)  .02093(16)  .02201(16)  .00801(13)  .00470(12)  .00578(12)
  Cu3  .02776(17)  .02082(16)  .02385(17)  .00819(13)  .00608(13)  .00845(12)
  Cu4  .02820(17)  .02112(16)  .02310(16)  .00761(13)  .00467(13)  .00644(12)
  N1  .0289(11)  .0221(10)  .0211(10)  .0070(9)  .0053(9)  .0065(8)
  N2  .0321(12)  .0228(11)  .0213(10)  .0081(9)  .0027(9)  .0078(9)
  Si11  .0315(4)  .0266(4)  .0254(4)  .0106(3)  .0052(3)  .0110(3)
  Si12  .0358(4)  .0256(4)  .0252(4)  .0095(3)  .0115(3)  .0052(3)
  Si21  .0391(4)  .0346(4)  .0249(4)  .0152(3)  .0123(3)  .0112(3)
  Si22  .0335(4)  .0272(4)  .0303(4)  .0089(3)  .0006(3)  .0131(3)
  C11  .0297(13)  .0203(12)  .0227(12)  .0055(10)  .0046(10)  .0060(10)
  C12  .0311(14)  .0270(13)  .0220(12)  .0086(11)  .0066(10)  .0092(10)
  C13  .0306(14)  .0387(16)  .0283(14)  .0059(12)  .0020(11)  .0116(12)
  C14  .0433(17)  .0315(15)  .0239(14)  -.0032(13)  -.0006(12)  .0090(12)
  C15  .0539(19)  .0203(13)  .0249(14)  .0051(13)  .0029(13)  .0058(11)
  C16  .0447(17)  .0243(13)  .0235(13)  .0127(12)  .0046(12)  .0071(10)
  C17  .0323(15)  .0315(15)  .0434(17)  .0154(12)  .0102(13)  .0115(13)
  C18  .056(2)  .0385(19)  .045(2)  -.0152(16)  -.0073(17)  .0101(15)
  C19  .054(2)  .0297(16)  .0469(19)  .0222(15)  .0097(16)  .0066(14)
  C21  .0328(14)  .0212(12)  .0239(12)  .0084(11)  .0069(10)  .0073(10)
  C22  .0340(15)  .0246(13)  .0273(13)  .0109(11)  .0066(11)  .0082(11)
  C23  .0458(17)  .0213(13)  .0284(14)  .0123(12)  .0043(12)  .0043(11)
  C24  .0419(16)  .0204(13)  .0262(13)  .0029(12)  .0002(12)  .0090(11)
  C25  .0302(14)  .0278(14)  .0296(14)  .0045(11)  .0009(11)  .0095(11)
  C26  .0322(14)  .0240(13)  .0256(13)  .0098(11)  .0033(11)  .0085(10)
  C27  .0388(17)  .0319(16)  .0519(19)  .0168(13)  .0138(14)  .0110(14)
  C28  .054(2)  .0248(15)  .0364(17)  .0007(14)  -.0059(14)  .0065(13)
  C29  .0350(16)  .0297(16)  .061(2)  .0121(13)  .0094(15)  .0099(15)
  C111  .053(2)  .060(2)  .0413(19)  .0196(19)  -.0129(17)  .0071(17)
  C112  .055(2)  .0290(16)  .055(2)  .0170(15)  .0235(17)  .0193(15)
  C113  .0426(18)  .0464(19)  .0466(19)  .0249(15)  .0203(15)  .0230(15)
  C121  .062(2)  .0316(17)  .052(2)  .0093(16)  .0174(18)  -.0062(15)
  C122  .051(2)  .0424(18)  .0326(16)  .0107(16)  .0174(15)  .0109(14)
  C123  .0462(19)  .063(2)  .0460(19)  .0327(18)  .0184(16)  .0161(18)
  C211  .048(2)  .058(2)  .077(3)  .0191(19)  .034(2)  .029(2)
  C212  .051(2)  .051(2)  .0379(17)  .0297(17)  .0143(15)  .0177(15)
  C213  .090(3)  .054(2)  .0253(16)  .034(2)  .0102(17)  .0048(15)
  C221  .0469(19)  .0427(18)  .0442(18)  .0086(15)  .0052(15)  .0273(16)
  C222  .060(2)  .0384(18)  .0484(19)  .0277(17)  .0062(17)  .0157(15)
  C223  .0406(18)  .0415(18)  .051(2)  .0066(15)  -.0085(15)  .0131(16)
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 N1 . 1.935(2) y
  Cu1 C21 . 1.982(3) y
  Cu2 N1 . 1.935(2) y
  Cu2 C11 . 1.984(3) y
  Cu3 N2 . 1.936(2) y
  Cu3 C11 . 1.980(3) y
  Cu4 N2 . 1.937(2) y
  Cu4 C21 . 1.998(3) y
  Cu1 Cu4 . 2.4291(6) y
  Cu1 Cu2 . 2.6071(9) y
  Cu2 Cu3 . 2.4322(6) y
  Cu3 Cu4 . 2.6150(9) y
  N1 Si12 . 1.750(2) y
  N1 Si11 . 1.751(2) y
  N2 Si21 . 1.746(2) y
  N2 Si22 . 1.759(2) y
  Si11 C113 . 1.862(3) ?
  Si11 C111 . 1.865(3) ?
  Si11 C112 . 1.874(3) ?
  Si12 C121 . 1.864(4) ?
  Si12 C122 . 1.866(3) ?
  Si12 C123 . 1.868(4) ?
  Si21 C213 . 1.863(4) ?
  Si21 C211 . 1.867(4) ?
  Si21 C212 . 1.869(3) ?
  Si22 C223 . 1.863(3) ?
  Si22 C222 . 1.866(3) ?
  Si22 C221 . 1.876(3) ?
  C11 C12 . 1.417(4) ?
  C11 C16 . 1.429(4) ?
  C12 C13 . 1.388(4) ?
  C12 C17 . 1.514(4) ?
  C13 C14 . 1.381(4) ?
  C13 H13A .  .9500 ?
  C14 C15 . 1.387(5) ?
  C14 C18 . 1.499(4) ?
  C15 C16 . 1.393(4) ?
  C15 H15A .  .9500 ?
  C16 C19 . 1.504(4) ?
  C17 H17A .  .9800 ?
  C17 H17B .  .9800 ?
  C17 H17C .  .9800 ?
  C18 H18A .  .9800 ?
  C18 H18B .  .9800 ?
  C18 H18C .  .9800 ?
  C19 H19A .  .9800 ?
  C19 H19B .  .9800 ?
  C19 H19C .  .9800 ?
  C21 C22 . 1.424(4) ?
  C21 C26 . 1.425(4) ?
  C22 C23 . 1.394(4) ?
  C22 C27 . 1.499(4) ?
  C23 C24 . 1.378(4) ?
  C23 H23A .  .9500 ?
  C24 C25 . 1.392(4) ?
  C24 C28 . 1.508(4) ?
  C25 C26 . 1.385(4) ?
  C25 H25A .  .9500 ?
  C26 C29 . 1.506(4) ?
  C27 H27A .  .9800 ?
  C27 H27B .  .9800 ?
  C27 H27C .  .9800 ?
  C28 H28A .  .9800 ?
  C28 H28B .  .9800 ?
  C28 H28C .  .9800 ?
  C29 H29A .  .9800 ?
  C29 H29B .  .9800 ?
  C29 H29C .  .9800 ?
  C111 H11A .  .9800 ?
  C111 H11B .  .9800 ?
  C111 H11C .  .9800 ?
  C112 H11D .  .9800 ?
  C112 H11E .  .9800 ?
  C112 H11F .  .9800 ?
  C113 H11G .  .9800 ?
  C113 H11H .  .9800 ?
  C113 H11I .  .9800 ?
  C121 H12A .  .9800 ?
  C121 H12B .  .9800 ?
  C121 H12C .  .9800 ?
  C122 H12D .  .9800 ?
  C122 H12E .  .9800 ?
  C122 H12F .  .9800 ?
  C123 H12G .  .9800 ?
  C123 H12H .  .9800 ?
  C123 H12I .  .9800 ?
  C211 H21A .  .9800 ?
  C211 H21B .  .9800 ?
  C211 H21C .  .9800 ?
  C212 H21D .  .9800 ?
  C212 H21E .  .9800 ?
  C212 H21F .  .9800 ?
  C213 H21G .  .9800 ?
  C213 H21H .  .9800 ?
  C213 H21I .  .9800 ?
  C221 H22A .  .9800 ?
  C221 H22B .  .9800 ?
  C221 H22C .  .9800 ?
  C222 H22D .  .9800 ?
  C222 H22E .  .9800 ?
  C222 H22F .  .9800 ?
  C223 H22G .  .9800 ?
  C223 H22H .  .9800 ?
  C223 H22I .  .9800 ?