#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/08/2200800.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_2200800
loop_
_publ_author_name
'Niemeyer, Mark'
_publ_section_title
;A heteroleptic tetranuclear copper amide/aryl complex:
 1,4:2,3-bis(μ-2,4,6-trimethylphenyl-C,C)-1,2:3,4-bis[μ-bis(trimethylsilyl)amido-N,N]tetracopper(I)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m491
_journal_page_last               m493
_journal_paper_doi               10.1107/S1600536801015550
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Cu4 (C9 H11)2 (C6 H18 N Si2)2]'
_chemical_formula_moiety         'C30 H58 Cu4 N2 Si4'
_chemical_formula_sum            'C30 H58 Cu4 N2 Si4'
_chemical_formula_weight         813.30
_chemical_melting_point          466.0(10)
_chemical_name_systematic
;
1,4:2,3-bis(μ-2,4,6-trimethylphenyl-C:C)-1,2:3,4-bis[μ-
bis(trimethylsilyl)amido-N:N]tetracopper(I)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.980(10)
_cell_angle_beta                 94.56(2)
_cell_angle_gamma                107.28(2)
_cell_formula_units_Z            2
_cell_length_a                   9.171(2)
_cell_length_b                   11.353(2)
_cell_length_c                   20.314(4)
_cell_measurement_reflns_used    39
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      12.2
_cell_measurement_theta_min      10.3
_cell_volume                     1952.9(7)
_computing_cell_refinement       P3
_computing_data_collection       'P3 (Siemens, 1989)'
_computing_data_reduction        'XDISK (Siemens, 1989)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Rebuild Syntex P2₁/Siemens P3 four-circle'
_diffrn_measurement_method       'Wyckoff scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .025
_diffrn_reflns_av_sigmaI/netI    .022
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            9068
_diffrn_reflns_theta_full        27.0
_diffrn_reflns_theta_max         27.0
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.29
_exptl_absorpt_correction_T_max  .602
_exptl_absorpt_correction_T_min  .423
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          .60
_exptl_crystal_size_mid          .45
_exptl_crystal_size_min          .30
_refine_diff_density_max         .74
_refine_diff_density_min         -.95
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.07
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8527
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.07
_refine_ls_R_factor_all          .047
_refine_ls_R_factor_gt           .037
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0587P)²+1.1813P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .101
_reflns_number_gt                7199
_reflns_number_total             8527
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ya6061.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '465-467 K' was changed to
'466.0(10)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '465-467 K' was changed to
'466.0(10)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2200800
_cod_database_fobs_code          2200800
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si .0817 .0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu .3201 1.2651 '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
_geom_angle_publ_flag
N1 Cu1 C21 169.86(10) y
N1 Cu1 Cu4 136.71(7) ?
C21 Cu1 Cu4 52.68(8) ?
N1 Cu1 Cu2 47.65(7) ?
C21 Cu1 Cu2 140.93(8) ?
Cu4 Cu1 Cu2 89.19(2) ?
N1 Cu2 C11 169.86(10) y
N1 Cu2 Cu3 138.01(7) ?
C11 Cu2 Cu3 52.09(8) ?
N1 Cu2 Cu1 47.63(7) ?
C11 Cu2 Cu1 142.46(8) ?
Cu3 Cu2 Cu1 90.89(2) ?
N2 Cu3 C11 170.15(10) y
N2 Cu3 Cu2 136.37(7) ?
C11 Cu3 Cu2 52.22(8) ?
N2 Cu3 Cu4 47.54(7) ?
C11 Cu3 Cu4 140.05(8) ?
Cu2 Cu3 Cu4 88.94(2) ?
N2 Cu4 C21 170.01(10) y
N2 Cu4 Cu1 137.83(7) ?
C21 Cu4 Cu1 52.09(8) ?
N2 Cu4 Cu3 47.52(7) ?
C21 Cu4 Cu3 142.46(8) ?
Cu1 Cu4 Cu3 90.77(2) ?
Si12 N1 Si11 121.38(13) y
Si12 N1 Cu1 108.56(11) ?
Si11 N1 Cu1 114.01(12) ?
Si12 N1 Cu2 114.45(12) ?
Si11 N1 Cu2 107.93(11) ?
Cu1 N1 Cu2 84.72(9) y
Si21 N2 Si22 119.80(13) y
Si21 N2 Cu3 109.20(12) ?
Si22 N2 Cu3 113.09(12) ?
Si21 N2 Cu4 112.01(12) ?
Si22 N2 Cu4 112.50(12) ?
Cu3 N2 Cu4 84.95(9) y
N1 Si11 C113 109.90(13) ?
N1 Si11 C111 112.77(15) ?
C113 Si11 C111 106.58(18) ?
N1 Si11 C112 111.30(14) ?
C113 Si11 C112 107.94(15) ?
C111 Si11 C112 108.13(18) ?
N1 Si12 C121 110.52(15) ?
N1 Si12 C122 113.29(13) ?
C121 Si12 C122 107.24(17) ?
N1 Si12 C123 110.55(14) ?
C121 Si12 C123 109.17(19) ?
C122 Si12 C123 105.88(17) ?
N2 Si21 C213 111.49(16) ?
N2 Si21 C211 111.98(15) ?
C213 Si21 C211 109.5(2) ?
N2 Si21 C212 110.44(13) ?
C213 Si21 C212 105.82(17) ?
C211 Si21 C212 107.37(18) ?
N2 Si22 C223 112.08(14) ?
N2 Si22 C222 111.05(13) ?
C223 Si22 C222 107.65(18) ?
N2 Si22 C221 112.50(14) ?
C223 Si22 C221 106.74(16) ?
C222 Si22 C221 106.49(17) ?
C12 C11 C16 116.6(2) ?
C12 C11 Cu3 109.77(18) ?
C16 C11 Cu3 122.1(2) ?
C12 C11 Cu2 113.87(19) ?
C16 C11 Cu2 112.21(19) ?
Cu3 C11 Cu2 75.69(10) y
C13 C12 C11 121.2(3) ?
C13 C12 C17 118.1(3) ?
C11 C12 C17 120.7(2) ?
C14 C13 C12 121.9(3) ?
C14 C13 H13A 119.1 ?
C12 C13 H13A 119.1 ?
C13 C14 C15 118.0(3) ?
C13 C14 C18 121.5(3) ?
C15 C14 C18 120.5(3) ?
C14 C15 C16 122.2(3) ?
C14 C15 H15A 118.9 ?
C16 C15 H15A 118.9 ?
C15 C16 C11 120.2(3) ?
C15 C16 C19 118.0(3) ?
C11 C16 C19 121.8(3) ?
C12 C17 H17A 109.5 ?
C12 C17 H17B 109.5 ?
H17A C17 H17B 109.5 ?
C12 C17 H17C 109.5 ?
H17A C17 H17C 109.5 ?
H17B C17 H17C 109.5 ?
C14 C18 H18A 109.5 ?
C14 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C14 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
C16 C19 H19A 109.5 ?
C16 C19 H19B 109.5 ?
H19A C19 H19B 109.5 ?
C16 C19 H19C 109.5 ?
H19A C19 H19C 109.5 ?
H19B C19 H19C 109.5 ?
C22 C21 C26 116.7(2) ?
C22 C21 Cu1 114.24(19) ?
C26 C21 Cu1 116.96(19) ?
C22 C21 Cu4 114.6(2) ?
C26 C21 Cu4 112.28(19) ?
Cu1 C21 Cu4 75.23(10) y
C23 C22 C21 120.2(3) ?
C23 C22 C27 118.0(3) ?
C21 C22 C27 121.7(3) ?
C24 C23 C22 122.4(3) ?
C24 C23 H23A 118.8 ?
C22 C23 H23A 118.8 ?
C23 C24 C25 118.0(3) ?
C23 C24 C28 121.2(3) ?
C25 C24 C28 120.8(3) ?
C26 C25 C24 121.7(3) ?
C26 C25 H25A 119.2 ?
C24 C25 H25A 119.2 ?
C25 C26 C21 120.9(3) ?
C25 C26 C29 117.8(3) ?
C21 C26 C29 121.2(2) ?
C22 C27 H27A 109.5 ?
C22 C27 H27B 109.5 ?
H27A C27 H27B 109.5 ?
C22 C27 H27C 109.5 ?
H27A C27 H27C 109.5 ?
H27B C27 H27C 109.5 ?
C24 C28 H28A 109.5 ?
C24 C28 H28B 109.5 ?
H28A C28 H28B 109.5 ?
C24 C28 H28C 109.5 ?
H28A C28 H28C 109.5 ?
H28B C28 H28C 109.5 ?
C26 C29 H29A 109.5 ?
C26 C29 H29B 109.5 ?
H29A C29 H29B 109.5 ?
C26 C29 H29C 109.5 ?
H29A C29 H29C 109.5 ?
H29B C29 H29C 109.5 ?
Si11 C111 H11A 109.5 ?
Si11 C111 H11B 109.5 ?
H11A C111 H11B 109.5 ?
Si11 C111 H11C 109.5 ?
H11A C111 H11C 109.5 ?
H11B C111 H11C 109.5 ?
Si11 C112 H11D 109.5 ?
Si11 C112 H11E 109.5 ?
H11D C112 H11E 109.5 ?
Si11 C112 H11F 109.5 ?
H11D C112 H11F 109.5 ?
H11E C112 H11F 109.5 ?
Si11 C113 H11G 109.5 ?
Si11 C113 H11H 109.5 ?
H11G C113 H11H 109.5 ?
Si11 C113 H11I 109.5 ?
H11G C113 H11I 109.5 ?
H11H C113 H11I 109.5 ?
Si12 C121 H12A 109.5 ?
Si12 C121 H12B 109.5 ?
H12A C121 H12B 109.5 ?
Si12 C121 H12C 109.5 ?
H12A C121 H12C 109.5 ?
H12B C121 H12C 109.5 ?
Si12 C122 H12D 109.5 ?
Si12 C122 H12E 109.5 ?
H12D C122 H12E 109.5 ?
Si12 C122 H12F 109.5 ?
H12D C122 H12F 109.5 ?
H12E C122 H12F 109.5 ?
Si12 C123 H12G 109.5 ?
Si12 C123 H12H 109.5 ?
H12G C123 H12H 109.5 ?
Si12 C123 H12I 109.5 ?
H12G C123 H12I 109.5 ?
H12H C123 H12I 109.5 ?
Si21 C211 H21A 109.5 ?
Si21 C211 H21B 109.5 ?
H21A C211 H21B 109.5 ?
Si21 C211 H21C 109.5 ?
H21A C211 H21C 109.5 ?
H21B C211 H21C 109.5 ?
Si21 C212 H21D 109.5 ?
Si21 C212 H21E 109.5 ?
H21D C212 H21E 109.5 ?
Si21 C212 H21F 109.5 ?
H21D C212 H21F 109.5 ?
H21E C212 H21F 109.5 ?
Si21 C213 H21G 109.5 ?
Si21 C213 H21H 109.5 ?
H21G C213 H21H 109.5 ?
Si21 C213 H21I 109.5 ?
H21G C213 H21I 109.5 ?
H21H C213 H21I 109.5 ?
Si22 C221 H22A 109.5 ?
Si22 C221 H22B 109.5 ?
H22A C221 H22B 109.5 ?
Si22 C221 H22C 109.5 ?
H22A C221 H22C 109.5 ?
H22B C221 H22C 109.5 ?
Si22 C222 H22D 109.5 ?
Si22 C222 H22E 109.5 ?
H22D C222 H22E 109.5 ?
Si22 C222 H22F 109.5 ?
H22D C222 H22F 109.5 ?
H22E C222 H22F 109.5 ?
Si22 C223 H22G 109.5 ?
Si22 C223 H22H 109.5 ?
H22G C223 H22H 109.5 ?
Si22 C223 H22I 109.5 ?
H22G C223 H22I 109.5 ?
H22H C223 H22I 109.5 ?
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 ?
