#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/59/2005960.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_2005960
loop_
_publ_author_name
'Lindeman, S. V.'
'Shchegolikhina, O. I.'
'Molodtsova, Y. A.'
'Zhdanov, A. A.'
_publ_section_title
;Hexakis(dimethylformamide)bis(hexaphenylcyclohexasiloxanehexaolato)hexacopper(II)
 Dimethylformamide Solvate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              305
_journal_page_last               309
_journal_paper_doi               10.1107/S0108270196010761
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac
'[Cu6 (C3 H7 N O)6 {(C6 H5)6 O12 Si6}] , 4C3 H7 N O'
_chemical_formula_moiety
;
[(Ph~6~Si~6~O~12~)~2~Cu~6~(Me~2~NCHO)~6~] 4(Me~2~NCHO)
;
_chemical_formula_sum            'C102 H130 Cu6 N10 O34 Si12'
_chemical_formula_weight         2758.48
_chemical_name_common
;
hexacopper(II) bis(hexaphenylsiloxanolate) dimethylformamide solvate
;
_chemical_name_systematic
;
bis(hexa-μ-oxo-cis-2,4,6,8,10,12-hexaphenylsiloxan-2,4,6,8,10,12-olato)-
hexa(dimethylformamido-O)hexacopper(II) dimethylformamide solvate,
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 109.31
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.750(8)
_cell_length_b                   18.382(10)
_cell_length_c                   20.129(10)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      9.5
_cell_measurement_theta_min      8.1
_cell_volume                     6198(5)
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measurement_device       'Siemens P3/PC'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0689
_diffrn_reflns_av_sigmaI/netI    0.1306
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10103
_diffrn_reflns_theta_max         24.05
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        3.6
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.205
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_description       prism
_exptl_crystal_F_000             2852
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.548
_refine_diff_density_min         -0.473
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.042
_refine_ls_goodness_of_fit_obs   1.175
_refine_ls_hydrogen_treatment    'H atoms refined as riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         9763
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_restrained_S_obs      1.175
_refine_ls_R_factor_all          0.1454
_refine_ls_R_factor_obs          0.0545
_refine_ls_shift/esd_max         -0.406
_refine_ls_shift/esd_mean        0.038
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0500P)²+1.9000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1195
_refine_ls_wR_factor_obs         0.0963
_reflns_number_observed          5450
_reflns_number_total             9775
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ab1396.cif
_cod_data_source_block           cudmfa
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0500P)^2^+1.9000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(Fo^2^)+(0.0500P)^2^+1.9000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2005960
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'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_type_symbol
Cu1 1 0.07945(4) 1.11631(4) 0.59090(3) 0.0118(2) Uani d . Cu
Cu2 1 0.13061(4) 1.05579(4) 0.47895(3) 0.0120(2) Uani d . Cu
Cu3 1 0.05556(4) 0.94037(4) 0.38579(3) 0.0120(2) Uani d . Cu
Si1 1 -0.08229(9) 1.21361(8) 0.52808(8) 0.0124(3) Uani d . Si
Si2 1 0.03013(9) 1.20590(8) 0.44392(8) 0.0129(3) Uani d . Si
Si3 1 0.01784(8) 1.10586(9) 0.32292(8) 0.0123(3) Uani d . Si
Si4 1 -0.11446(9) 0.99630(9) 0.27656(8) 0.0129(3) Uani d . Si
Si5 1 -0.22617(9) 1.00077(9) 0.36180(8) 0.0135(3) Uani d . Si
Si6 1 -0.21426(9) 1.10275(9) 0.48317(8) 0.0132(3) Uani d . Si
O1 1 -0.0435(2) 1.2350(2) 0.4677(2) 0.0156(9) Uani d . O
O2 1 -0.0057(2) 1.1745(2) 0.3637(2) 0.0146(9) Uani d . O
O3 1 -0.0649(2) 1.0695(2) 0.2713(2) 0.0137(9) Uani d . O
O4 1 -0.1925(2) 1.0196(2) 0.2970(2) 0.0151(9) Uani d . O
O5 1 -0.2366(2) 1.0753(2) 0.4015(2) 0.0146(9) Uani d . O
O6 1 -0.1725(2) 1.1825(2) 0.4903(2) 0.0164(9) Uani d . O
O1M 1 -0.0285(2) 1.1532(2) 0.5807(2) 0.0131(8) Uani d . O
O2M 1 0.0768(2) 1.1426(2) 0.4964(2) 0.0147(9) Uani d . O
O3M 1 0.0689(2) 1.0464(2) 0.3783(2) 0.0131(8) Uani d . O
O4M 1 -0.0596(2) 0.9400(2) 0.3330(2) 0.0143(8) Uani d . O
O5M 1 -0.1645(2) 0.9474(2) 0.4178(2) 0.0147(8) Uani d . O
O6M 1 -0.1558(2) 1.0449(2) 0.5354(2) 0.0133(9) Uani d . O
C11 1 -0.0916(3) 1.2993(3) 0.5729(3) 0.0202(14) Uani d . C
C12 1 -0.0483(4) 1.3613(4) 0.5695(4) 0.038(2) Uani d . C
H12A 1 -0.0130(4) 1.3600(4) 0.5428(4) 0.046 Uiso calc R H
C13 1 -0.0551(5) 1.4259(4) 0.6043(4) 0.054(2) Uani d . C
H13A 1 -0.0248(5) 1.4675(4) 0.6010(4) 0.065 Uiso calc R H
C14 1 -0.1057(5) 1.4291(4) 0.6432(4) 0.042(2) Uani d . C
H14A 1 -0.1094(5) 1.4722(4) 0.6681(4) 0.050 Uiso calc R H
C15 1 -0.1503(5) 1.3698(4) 0.6457(4) 0.043(2) Uani d . C
H15A 1 -0.1873(5) 1.3724(4) 0.6706(4) 0.051 Uiso calc R H
C16 1 -0.1428(4) 1.3053(4) 0.6123(3) 0.030(2) Uani d . C
H16A 1 -0.1734(4) 1.2642(4) 0.6165(3) 0.036 Uiso calc R H
C21 1 0.0966(3) 1.2843(3) 0.4457(3) 0.0178(13) Uani d . C
C22 1 0.1331(4) 1.3212(4) 0.5083(3) 0.035(2) Uani d . C
H22A 1 0.1248(4) 1.3053(4) 0.5503(3) 0.042 Uiso calc R H
C23 1 0.1814(4) 1.3812(4) 0.5103(4) 0.048(2) Uani d . C
H23A 1 0.2055(4) 1.4058(4) 0.5537(4) 0.058 Uiso calc R H
C24 1 0.1950(4) 1.4055(4) 0.4509(4) 0.040(2) Uani d . C
H24A 1 0.2271(4) 1.4472(4) 0.4524(4) 0.048 Uiso calc R H
C25 1 0.1612(4) 1.3681(4) 0.3890(4) 0.037(2) Uani d . C
H25A 1 0.1708(4) 1.3834(4) 0.3475(4) 0.044 Uiso calc R H
C26 1 0.1132(4) 1.3082(3) 0.3869(3) 0.028(2) Uani d . C
H26A 1 0.0909(4) 1.2829(3) 0.3437(3) 0.034 Uiso calc R H
C31 1 0.0745(3) 1.1445(3) 0.2685(3) 0.0182(13) Uani d . C
C32 1 0.1571(3) 1.1397(4) 0.2886(3) 0.025(2) Uani d . C
H32A 1 0.1847(3) 1.1126(4) 0.3297(3) 0.030 Uiso calc R H
C33 1 0.2008(4) 1.1725(4) 0.2515(4) 0.038(2) Uani d . C
H33A 1 0.2571(4) 1.1668(4) 0.2665(4) 0.046 Uiso calc R H
C34 1 0.1631(4) 1.2131(4) 0.1933(4) 0.043(2) Uani d . C
H34A 1 0.1928(4) 1.2352(4) 0.1673(4) 0.052 Uiso calc R H
C35 1 0.0823(5) 1.2216(4) 0.1728(4) 0.046(2) Uani d . C
H35A 1 0.0559(5) 1.2511(4) 0.1332(4) 0.055 Uiso calc R H
C36 1 0.0382(4) 1.1874(4) 0.2096(3) 0.034(2) Uani d . C
H36A 1 -0.0181(4) 1.1934(4) 0.1941(3) 0.041 Uiso calc R H
C41 1 -0.1507(3) 0.9534(3) 0.1881(3) 0.0171(13) Uani d . C
C42 1 -0.2280(4) 0.9660(4) 0.1398(3) 0.026(2) Uani d . C
H42A 1 -0.2628(4) 0.9990(4) 0.1516(3) 0.032 Uiso calc R H
C43 1 -0.2534(4) 0.9305(4) 0.0753(3) 0.040(2) Uani d . C
H43A 1 -0.3057(4) 0.9391(4) 0.0437(3) 0.048 Uiso calc R H
C44 1 -0.2046(4) 0.8838(4) 0.0567(3) 0.042(2) Uani d . C
H44A 1 -0.2229(4) 0.8602(4) 0.0122(3) 0.050 Uiso calc R H
C45 1 -0.1279(4) 0.8703(4) 0.1026(4) 0.039(2) Uani d . C
H45A 1 -0.0936(4) 0.8377(4) 0.0896(4) 0.047 Uiso calc R H
C46 1 -0.1022(4) 0.9046(3) 0.1671(3) 0.0263(15) Uani d . C
H46A 1 -0.0499(4) 0.8949(3) 0.1984(3) 0.032 Uiso calc R H
C51 1 -0.3264(3) 0.9580(3) 0.3226(3) 0.0167(13) Uani d . C
C52 1 -0.3798(3) 0.9565(4) 0.3600(3) 0.032(2) Uani d . C
H52A 1 -0.3661(3) 0.9806(4) 0.4042(3) 0.039 Uiso calc R H
C53 1 -0.4525(4) 0.9207(4) 0.3342(4) 0.040(2) Uani d . C
H53A 1 -0.4876(4) 0.9200(4) 0.3611(4) 0.048 Uiso calc R H
C54 1 -0.4742(4) 0.8863(4) 0.2702(4) 0.040(2) Uani d . C
H54A 1 -0.5243(4) 0.8624(4) 0.2521(4) 0.048 Uiso calc R H
C55 1 -0.4224(4) 0.8869(5) 0.2327(4) 0.057(3) Uani d . C
H55A 1 -0.4366(4) 0.8630(5) 0.1884(4) 0.068 Uiso calc R H
C56 1 -0.3487(4) 0.9223(4) 0.2591(4) 0.043(2) Uani d . C
H56A 1 -0.3133(4) 0.9216(4) 0.2325(4) 0.052 Uiso calc R H
C61 1 -0.3095(3) 1.1126(3) 0.5027(3) 0.0185(13) Uani d . C
C62 1 -0.3535(3) 1.1775(3) 0.4876(3) 0.0240(15) Uani d . C
H62A 1 -0.3325(3) 1.2182(3) 0.4706(3) 0.029 Uiso calc R H
C63 1 -0.4272(4) 1.1831(4) 0.4971(4) 0.033(2) Uani d . C
H63A 1 -0.4566(4) 1.2272(4) 0.4862(4) 0.040 Uiso calc R H
C64 1 -0.4573(4) 1.1243(4) 0.5224(3) 0.034(2) Uani d . C
H64A 1 -0.5084(4) 1.1277(4) 0.5278(3) 0.041 Uiso calc R H
C65 1 -0.4145(4) 1.0609(4) 0.5397(3) 0.0284(15) Uani d . C
H65A 1 -0.4350(4) 1.0212(4) 0.5588(3) 0.034 Uiso calc R H
C66 1 -0.3414(3) 1.0551(4) 0.5294(3) 0.0208(13) Uani d . C
H66A 1 -0.3125(3) 1.0108(4) 0.5408(3) 0.025 Uiso calc R H
O1S 1 0.1559(2) 1.2064(2) 0.6481(2) 0.0256(10) Uani d . O
N1S 1 0.2428(3) 1.2538(3) 0.7490(3) 0.0313(13) Uani d . N
C1S 1 0.1893(4) 1.2072(4) 0.7120(3) 0.028(2) Uani d . C
H1SB 1 0.1747(4) 1.1697(4) 0.7379(3) 0.033 Uiso calc R H
C2S 1 0.2795(5) 1.2496(5) 0.8243(4) 0.059(2) Uani d . C
H2SA 1 0.2547(23) 1.2103(20) 0.8427(5) 0.088 Uiso calc R H
H2SB 1 0.2720(29) 1.2959(11) 0.8455(4) 0.088 Uiso calc R H
H2SC 1 0.3367(8) 1.2399(30) 0.8359(4) 0.088 Uiso calc R H
C3S 1 0.2687(7) 1.3119(6) 0.7145(5) 0.103(4) Uani d . C
H3SA 1 0.2389(36) 1.3103(28) 0.6639(8) 0.155 Uiso calc R H
H3SB 1 0.3258(13) 1.3066(25) 0.7220(37) 0.155 Uiso calc R H
H3SC 1 0.2590(46) 1.3585(6) 0.7339(31) 0.155 Uiso calc R H
O2S 1 0.2347(2) 1.1127(2) 0.4662(2) 0.0244(10) Uani d . O
N2S 1 0.3194(3) 1.2066(3) 0.5069(3) 0.0278(13) Uani d . N
C4S 1 0.2675(3) 1.1572(4) 0.5121(3) 0.0237(15) Uani d . C
H4SB 1 0.2547(3) 1.1561(4) 0.5543(3) 0.028 Uiso calc R H
C5S 1 0.3338(4) 1.2165(4) 0.4399(4) 0.041(2) Uani d . C
H5SA 1 0.3530(26) 1.1708(8) 0.4263(12) 0.062 Uiso calc R H
H5SB 1 0.3739(20) 1.2546(18) 0.4450(8) 0.062 Uiso calc R H
H5SC 1 0.2839(7) 1.2308(24) 0.4035(7) 0.062 Uiso calc R H
C6S 1 0.3564(5) 1.2571(5) 0.5639(4) 0.056(2) Uani d . C
H6SA 1 0.3446(26) 1.2420(16) 0.6061(9) 0.084 Uiso calc R H
H6SB 1 0.3351(23) 1.3061(7) 0.5502(11) 0.084 Uiso calc R H
H6SC 1 0.4143(5) 1.2574(21) 0.5739(19) 0.084 Uiso calc R H
O3S 1 0.1082(2) 0.9078(2) 0.3041(2) 0.0275(11) Uani d . O
N3S 1 0.2111(3) 0.9306(3) 0.2639(3) 0.038(2) Uani d . N
C7S 1 0.1685(3) 0.9403(4) 0.3063(3) 0.0265(15) Uani d . C
H7SA 1 0.1871(3) 0.9762(4) 0.3420(3) 0.032 Uiso calc R H
C8S 1 0.2841(4) 0.9712(5) 0.2716(4) 0.054(2) Uani d . C
H8SA 1 0.2934(17) 1.0064(20) 0.3099(18) 0.081 Uiso calc R H
H8SB 1 0.2788(12) 0.9969(23) 0.2276(10) 0.081 Uiso calc R H
H8SC 1 0.3293(6) 0.9374(6) 0.2823(26) 0.081 Uiso calc R H
C9S 1 0.1846(5) 0.8775(5) 0.2056(5) 0.065(3) Uani d . C
H9SA 1 0.1278(10) 0.8667(24) 0.1954(21) 0.098 Uiso calc R H
H9SB 1 0.2157(24) 0.8326(12) 0.2191(12) 0.098 Uiso calc R H
H9SC 1 0.1927(32) 0.8979(13) 0.1635(9) 0.098 Uiso calc R H
O1SS 1 -0.4027(4) 0.8948(4) 0.6641(3) 0.076(2) Uani d . O
N1SS 1 -0.4958(4) 0.8305(4) 0.6952(3) 0.050(2) Uani d . N
C1SS 1 -0.4676(5) 0.8908(5) 0.6762(4) 0.052(2) Uani d . C
H1SA 1 -0.4985(5) 0.9339(5) 0.6713(4) 0.063 Uiso calc R H
C2SS 1 -0.4514(5) 0.7634(5) 0.6998(5) 0.066(3) Uani d . C
H2SD 1 -0.3992(14) 0.7742(6) 0.6955(30) 0.098 Uiso calc R H
H2SE 1 -0.4811(17) 0.7307(13) 0.6617(19) 0.098 Uiso calc R H
H2SF 1 -0.4441(30) 0.7401(16) 0.7453(13) 0.098 Uiso calc R H
C3SS 1 -0.5678(6) 0.8297(7) 0.7127(6) 0.101(4) Uani d . C
H3SD 1 -0.5891(26) 0.8792(10) 0.7097(40) 0.152 Uiso calc R H
H3SE 1 -0.5563(11) 0.8112(41) 0.7607(16) 0.152 Uiso calc R H
H3SF 1 -0.6072(18) 0.7982(35) 0.6796(27) 0.152 Uiso calc R H
O2SS 1 -0.0242(4) 1.1484(3) -0.0268(3) 0.062(2) Uani d . O
N2SS 1 -0.0025(5) 1.0646(4) 0.0615(4) 0.062(2) Uani d . N
C4SS 1 0.0209(5) 1.1134(5) 0.0239(5) 0.058(2) Uani d . C
H4SA 1 0.0766(5) 1.1225(5) 0.0366(5) 0.070 Uiso calc R H
C5SS 1 0.0545(8) 1.0241(6) 0.1180(5) 0.112(5) Uani d . C
H5SE 1 0.1087(9) 1.0409(33) 0.1239(30) 0.168 Uiso calc R H
H5SF 1 0.0502(37) 0.9721(7) 0.1063(21) 0.168 Uiso calc R H
H5SG 1 0.0430(32) 1.0318(38) 0.1619(11) 0.168 Uiso calc R H
C6SS 1 -0.0864(6) 1.0498(6) 0.0477(6) 0.093(4) Uani d . C
H6SF 1 -0.1185(6) 1.0805(30) 0.0088(27) 0.140 Uiso calc R H
H6SG 1 -0.1002(12) 1.0605(39) 0.0900(14) 0.140 Uiso calc R H
H6SD 1 -0.0973(11) 0.9985(11) 0.0350(39) 0.140 Uiso calc R H
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'
Si Si 0.0817 0.0704 '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'
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
_geom_angle_publ_flag
O2M Cu1 O5M . 3_576 80.31(15) y
O2M Cu1 O4M . 3_576 159.2(2) y
O5M Cu1 O4M 3_576 3_576 95.55(15) y
O2M Cu1 O1M . . 95.93(15) y
O5M Cu1 O1M 3_576 . 160.4(2) y
O4M Cu1 O1M 3_576 . 81.10(15) y
O2M Cu1 O1S . . 97.8(2) y
O5M Cu1 O1S 3_576 . 97.8(2) y
O4M Cu1 O1S 3_576 . 103.0(2) y
O1M Cu1 O1S . . 101.8(2) y
O6M Cu2 O2M 3_576 . 162.6(2) y
O6M Cu2 O5M 3_576 3_576 97.1(2) y
O2M Cu2 O5M . 3_576 80.2(2) y
O6M Cu2 O3M 3_576 . 80.84(15) y
O2M Cu2 O3M . . 96.8(2) y
O5M Cu2 O3M 3_576 . 163.57(15) y
O6M Cu2 O2S 3_576 . 101.0(2) y
O2M Cu2 O2S . . 96.4(2) y
O5M Cu2 O2S 3_576 . 99.28(15) y
O3M Cu2 O2S . . 97.11(15) y
O1M Cu3 O4M 3_576 . 81.6(2) y
O1M Cu3 O6M 3_576 3_576 95.87(15) y
O4M Cu3 O6M . 3_576 159.21(15) y
O1M Cu3 O3M 3_576 . 159.96(15) y
O4M Cu3 O3M . . 95.2(2) y
O6M Cu3 O3M 3_576 . 80.01(15) y
O1M Cu3 O3S 3_576 . 103.2(2) y
O4M Cu3 O3S . . 102.4(2) y
O6M Cu3 O3S 3_576 . 98.3(2) y
O3M Cu3 O3S . . 96.8(2) y
O1M Si1 O1 . . 110.6(2) y
O1M Si1 O6 . . 110.0(2) y
O1 Si1 O6 . . 109.1(2) y
O1M Si1 C11 . . 113.3(2) y
O1 Si1 C11 . . 106.6(2) y
O6 Si1 C11 . . 107.1(2) y
O2M Si2 O1 . . 109.6(2) y
O2M Si2 O2 . . 110.1(2) y
O1 Si2 O2 . . 108.6(2) y
O2M Si2 C21 . . 111.3(2) y
O1 Si2 C21 . . 107.9(2) y
O2 Si2 C21 . . 109.3(2) y
O3M Si3 O2 . . 110.9(2) y
O3M Si3 O3 . . 110.2(2) y
O2 Si3 O3 . . 108.0(2) y
O3M Si3 C31 . . 112.2(2) y
O2 Si3 C31 . . 106.2(2) y
O3 Si3 C31 . . 109.2(2) y
O4M Si4 O4 . . 111.0(2) y
O4M Si4 O3 . . 111.3(2) y
O4 Si4 O3 . . 108.8(2) y
O4M Si4 C41 . . 110.0(2) y
O4 Si4 C41 . . 107.4(2) y
O3 Si4 C41 . . 108.1(2) y
O5M Si5 O5 . . 109.2(2) y
O5M Si5 O4 . . 110.0(2) y
O5 Si5 O4 . . 110.1(2) y
O5M Si5 C51 . . 111.7(2) y
O5 Si5 C51 . . 108.4(2) y
O4 Si5 C51 . . 107.4(2) y
O6M Si6 O6 . . 111.2(2) y
O6M Si6 O5 . . 110.0(2) y
O6 Si6 O5 . . 108.5(2) y
O6M Si6 C61 . . 111.1(2) y
O6 Si6 C61 . . 108.2(2) y
O5 Si6 C61 . . 107.8(2) y
Si2 O1 Si1 . . 136.0(2) y
Si2 O2 Si3 . . 133.6(2) y
Si4 O3 Si3 . . 133.3(2) y
Si4 O4 Si5 . . 135.2(2) y
Si5 O5 Si6 . . 136.3(2) y
Si6 O6 Si1 . . 134.8(2) y
Si1 O1M Cu3 . 3_576 132.0(2) y
Si1 O1M Cu1 . . 130.4(2) y
Cu3 O1M Cu1 3_576 . 90.14(15) y
Si2 O2M Cu1 . . 131.6(2) y
Si2 O2M Cu2 . . 130.6(2) y
Cu1 O2M Cu2 . . 96.8(2) y
Si3 O3M Cu2 . . 130.4(2) y
Si3 O3M Cu3 . . 132.0(2) y
Cu2 O3M Cu3 . . 92.73(15) y
Si4 O4M Cu3 . . 131.3(2) y
Si4 O4M Cu1 . 3_576 131.6(2) y
Cu3 O4M Cu1 . 3_576 90.15(15) y
Si5 O5M Cu2 . 3_576 131.0(2) y
Si5 O5M Cu1 . 3_576 131.5(2) y
Cu2 O5M Cu1 3_576 3_576 95.82(15) y
Si6 O6M Cu2 . 3_576 131.4(2) y
Si6 O6M Cu3 . 3_576 130.5(2) y
Cu2 O6M Cu3 3_576 3_576 93.42(15) y
C12 C11 C16 . . 116.1(6) ?
C12 C11 Si1 . . 122.2(5) ?
C16 C11 Si1 . . 121.7(5) ?
C11 C12 C13 . . 121.8(6) ?
C14 C13 C12 . . 120.1(7) ?
C15 C14 C13 . . 119.1(7) ?
C14 C15 C16 . . 121.0(7) ?
C15 C16 C11 . . 121.8(6) ?
C26 C21 C22 . . 117.0(6) ?
C26 C21 Si2 . . 123.0(5) ?
C22 C21 Si2 . . 119.9(5) ?
C23 C22 C21 . . 120.8(6) ?
C24 C23 C22 . . 121.2(7) ?
C23 C24 C25 . . 118.5(6) ?
C24 C25 C26 . . 120.4(6) ?
C21 C26 C25 . . 122.0(6) ?
C32 C31 C36 . . 115.6(6) ?
C32 C31 Si3 . . 122.0(5) ?
C36 C31 Si3 . . 122.0(5) ?
C33 C32 C31 . . 122.8(6) ?
C34 C33 C32 . . 119.9(6) ?
C33 C34 C35 . . 119.5(7) ?
C34 C35 C36 . . 120.5(7) ?
C31 C36 C35 . . 121.7(6) ?
C46 C41 C42 . . 116.7(5) ?
C46 C41 Si4 . . 120.6(4) ?
C42 C41 Si4 . . 122.7(5) ?
C43 C42 C41 . . 120.5(6) ?
C44 C43 C42 . . 121.1(6) ?
C43 C44 C45 . . 120.1(6) ?
C46 C45 C44 . . 119.4(7) ?
C45 C46 C41 . . 122.1(6) ?
C56 C51 C52 . . 117.1(6) ?
C56 C51 Si5 . . 122.5(5) ?
C52 C51 Si5 . . 120.2(4) ?
C53 C52 C51 . . 121.5(6) ?
C54 C53 C52 . . 120.5(6) ?
C55 C54 C53 . . 118.9(6) ?
C54 C55 C56 . . 120.5(7) ?
C51 C56 C55 . . 121.5(6) ?
C66 C61 C62 . . 117.5(5) ?
C66 C61 Si6 . . 121.4(5) ?
C62 C61 Si6 . . 121.1(5) ?
C63 C62 C61 . . 121.2(6) ?
C64 C63 C62 . . 119.5(6) ?
C65 C64 C63 . . 120.7(6) ?
C64 C65 C66 . . 119.7(6) ?
C65 C66 C61 . . 121.4(6) ?
C1S O1S Cu1 . . 123.9(4) y
C1S N1S C3S . . 120.0(6) ?
C1S N1S C2S . . 123.6(6) ?
C3S N1S C2S . . 116.4(6) ?
O1S C1S N1S . . 127.7(6) ?
C4S O2S Cu2 . . 115.7(4) y
C4S N2S C6S . . 121.3(6) ?
C4S N2S C5S . . 119.8(5) ?
C6S N2S C5S . . 118.5(6) ?
O2S C4S N2S . . 124.6(6) ?
C7S O3S Cu3 . . 114.9(4) y
C7S N3S C8S . . 122.6(6) ?
C7S N3S C9S . . 120.0(6) ?
C8S N3S C9S . . 117.3(6) ?
O3S C7S N3S . . 126.4(6) ?
C1SS N1SS C3SS . . 122.2(8) ?
C1SS N1SS C2SS . . 118.7(7) ?
C3SS N1SS C2SS . . 119.1(8) ?
O1SS C1SS N1SS . . 124.4(8) ?
C4SS N2SS C6SS . . 121.0(8) ?
C4SS N2SS C5SS . . 121.7(9) ?
C6SS N2SS C5SS . . 117.3(9) ?
O2SS C4SS N2SS . . 125.3(8) ?
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 O2M . 1.948(4) y
Cu1 O5M 3_576 1.964(4) y
Cu1 O4M 3_576 1.975(4) y
Cu1 O1M . 1.978(4) y
Cu1 O1S . 2.208(4) y
Cu2 O6M 3_576 1.947(4) y
Cu2 O2M . 1.951(4) y
Cu2 O5M 3_576 1.964(4) y
Cu2 O3M . 1.967(4) y
Cu2 O2S . 2.211(4) y
Cu3 O1M 3_576 1.965(4) y
Cu3 O4M . 1.967(4) y
Cu3 O6M 3_576 1.972(3) y
Cu3 O3M . 1.975(4) y
Cu3 O3S . 2.226(4) y
Si1 O1M . 1.612(4) y
Si1 O1 . 1.631(4) y
Si1 O6 . 1.631(4) y
Si1 C11 . 1.850(6) y
Si2 O2M . 1.605(4) y
Si2 O1 . 1.624(4) y
Si2 O2 . 1.632(4) y
Si2 C21 . 1.856(6) y
Si3 O3M . 1.609(4) y
Si3 O2 . 1.634(4) y
Si3 O3 . 1.636(4) y
Si3 C31 . 1.856(6) y
Si4 O4M . 1.605(4) y
Si4 O4 . 1.627(4) y
Si4 O3 . 1.630(4) y
Si4 C41 . 1.856(6) y
Si5 O5M . 1.618(4) y
Si5 O5 . 1.627(4) y
Si5 O4 . 1.641(4) y
Si5 C51 . 1.864(6) y
Si6 O6M . 1.610(4) y
Si6 O6 . 1.628(4) y
Si6 O5 . 1.639(4) y
Si6 C61 . 1.866(6) y
C11 C12 . 1.390(8) ?
C11 C16 . 1.394(8) ?
C12 C13 . 1.405(9) ?
C13 C14 . 1.373(10) ?
C14 C15 . 1.358(10) ?
C15 C16 . 1.391(9) ?
C21 C26 . 1.382(8) ?
C21 C22 . 1.390(8) ?
C22 C23 . 1.389(9) ?
C23 C24 . 1.372(9) ?
C24 C25 . 1.374(10) ?
C25 C26 . 1.383(9) ?
C31 C32 . 1.388(8) ?
C31 C36 . 1.392(8) ?
C32 C33 . 1.382(8) ?
C33 C34 . 1.363(9) ?
C34 C35 . 1.364(10) ?
C35 C36 . 1.393(9) ?
C41 C46 . 1.402(8) ?
C41 C42 . 1.414(8) ?
C42 C43 . 1.388(9) ?
C43 C44 . 1.358(10) ?
C44 C45 . 1.391(10) ?
C45 C46 . 1.379(8) ?
C51 C56 . 1.374(8) ?
C51 C52 . 1.393(8) ?
C52 C53 . 1.388(9) ?
C53 C54 . 1.373(9) ?
C54 C55 . 1.369(10) ?
C55 C56 . 1.399(9) ?
C61 C66 . 1.390(8) ?
C61 C62 . 1.402(8) ?
C62 C63 . 1.387(8) ?
C63 C64 . 1.375(9) ?
C64 C65 . 1.372(9) ?
C65 C66 . 1.385(8) ?
O1S C1S . 1.226(7) y
N1S C1S . 1.313(8) y
N1S C3S . 1.430(10) n
N1S C2S . 1.440(8) n
O2S C4S . 1.227(7) y
N2S C4S . 1.322(7) y
N2S C6S . 1.453(8) n
N2S C5S . 1.464(8) n
O3S C7S . 1.214(7) y
N3S C7S . 1.325(7) y
N3S C8S . 1.459(8) n
N3S C9S . 1.480(9) n
O1SS C1SS . 1.255(9) y
N1SS C1SS . 1.324(10) y
N1SS C3SS . 1.433(10) n
N1SS C2SS . 1.448(10) n
O2SS C4SS . 1.248(10) y
N2SS C4SS . 1.326(10) y
N2SS C6SS . 1.448(11) n
N2SS C5SS . 1.453(11) n
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2M Si2 O1 Si1 . . -3.2(4) y
O2 Si2 O1 Si1 . . 117.1(3) y
C21 Si2 O1 Si1 . . -124.6(4) ?
O1M Si1 O1 Si2 . . 6.6(4) y
O6 Si1 O1 Si2 . . -114.5(3) y
C11 Si1 O1 Si2 . . 130.2(4) ?
O2M Si2 O2 Si3 . . -22.9(4) y
O1 Si2 O2 Si3 . . -142.8(3) y
C21 Si2 O2 Si3 . . 99.7(4) ?
O3M Si3 O2 Si2 . . 20.0(4) y
O3 Si3 O2 Si2 . . 140.8(3) y
C31 Si3 O2 Si2 . . -102.1(4) ?
O4M Si4 O3 Si3 . . -18.2(4) y
O4 Si4 O3 Si3 . . 104.5(3) y
C41 Si4 O3 Si3 . . -139.1(3) ?
O3M Si3 O3 Si4 . . 17.9(4) y
O2 Si3 O3 Si4 . . -103.4(3) y
C31 Si3 O3 Si4 . . 141.5(3) ?
O4M Si4 O4 Si5 . . 1.9(4) y
O3 Si4 O4 Si5 . . -120.9(3) y
C41 Si4 O4 Si5 . . 122.2(4) ?
O5M Si5 O4 Si4 . . 1.1(4) y
O5 Si5 O4 Si4 . . 121.5(3) y
C51 Si5 O4 Si4 . . -120.7(4) ?
O5M Si5 O5 Si6 . . -13.5(4) y
O4 Si5 O5 Si6 . . -134.3(3) y
C51 Si5 O5 Si6 . . 108.5(4) ?
O6M Si6 O5 Si5 . . 11.5(4) y
O6 Si6 O5 Si5 . . 133.3(3) y
C61 Si6 O5 Si5 . . -109.8(4) ?
O6M Si6 O6 Si1 . . 11.4(4) y
O5 Si6 O6 Si1 . . -109.7(3) y
C61 Si6 O6 Si1 . . 133.6(4) ?
O1M Si1 O6 Si6 . . -12.9(4) y
O1 Si1 O6 Si6 . . 108.6(4) y
C11 Si1 O6 Si6 . . -136.4(4) ?
O1 Si1 O1M Cu3 . 3_576 -129.6(3) ?
O6 Si1 O1M Cu3 . 3_576 -9.0(4) y
C11 Si1 O1M Cu3 . 3_576 110.7(3) ?
O1 Si1 O1M Cu1 . . 10.9(3) y
O6 Si1 O1M Cu1 . . 131.5(3) ?
C11 Si1 O1M Cu1 . . -108.8(3) ?
O2M Cu1 O1M Si1 . . -23.0(3) y
O5M Cu1 O1M Si1 3_576 . -100.7(5) ?
O4M Cu1 O1M Si1 3_576 . 177.8(3) ?
O1S Cu1 O1M Si1 . . 76.2(3) ?
O2M Cu1 O1M Cu3 . 3_576 128.77(15) ?
O5M Cu1 O1M Cu3 3_576 3_576 51.1(5) ?
O4M Cu1 O1M Cu3 3_576 3_576 -30.43(14) y
O1S Cu1 O1M Cu3 . 3_576 -131.97(15) ?
O1 Si2 O2M Cu1 . . -19.1(4) y
O2 Si2 O2M Cu1 . . -138.5(3) ?
C21 Si2 O2M Cu1 . . 100.2(3) ?
O1 Si2 O2M Cu2 . . 146.2(3) ?
O2 Si2 O2M Cu2 . . 26.8(4) y
C21 Si2 O2M Cu2 . . -94.5(3) ?
O5M Cu1 O2M Si2 3_576 . -171.4(3) ?
O4M Cu1 O2M Si2 3_576 . 108.6(4) ?
O1M Cu1 O2M Si2 . . 28.1(3) y
O1S Cu1 O2M Si2 . . -74.7(3) ?
O5M Cu1 O2M Cu2 3_576 . 19.8(2) y
O4M Cu1 O2M Cu2 3_576 . -60.2(5) ?
O1M Cu1 O2M Cu2 . . -140.7(2) ?
O1S Cu1 O2M Cu2 . . 116.5(2) ?
O6M Cu2 O2M Si2 3_576 . -106.2(5) ?
O5M Cu2 O2M Si2 3_576 . 171.2(3) ?
O3M Cu2 O2M Si2 . . -25.2(3) y
O2S Cu2 O2M Si2 . . 72.8(3) ?
O6M Cu2 O2M Cu1 3_576 . 62.7(5) ?
O5M Cu2 O2M Cu1 3_576 . -19.85(15) y
O3M Cu2 O2M Cu1 . . 143.8(2) ?
O2S Cu2 O2M Cu1 . . -118.2(2) ?
O2 Si3 O3M Cu2 . . -20.1(3) y
O3 Si3 O3M Cu2 . . -139.6(3) ?
C31 Si3 O3M Cu2 . . 98.5(3) ?
O2 Si3 O3M Cu3 . . 128.1(3) ?
O3 Si3 O3M Cu3 . . 8.6(3) y
C31 Si3 O3M Cu3 . . -113.4(3) ?
O6M Cu2 O3M Si3 3_576 . -176.2(3) ?
O2M Cu2 O3M Si3 . . 21.2(3) y
O5M Cu2 O3M Si3 3_576 . 99.7(6) ?
O2S Cu2 O3M Si3 . . -76.2(3) ?
O6M Cu2 O3M Cu3 3_576 . 26.92(14) y
O2M Cu2 O3M Cu3 . . -135.67(15) ?
O5M Cu2 O3M Cu3 3_576 . -57.1(6) ?
O2S Cu2 O3M Cu3 . . 127.0(2) ?
O1M Cu3 O3M Si3 3_576 . -103.3(5) ?
O4M Cu3 O3M Si3 . . -23.3(3) y
O6M Cu3 O3M Si3 3_576 . 177.1(3) ?
O3S Cu3 O3M Si3 . . 79.9(3) ?
O1M Cu3 O3M Cu2 3_576 . 53.0(5) ?
O4M Cu3 O3M Cu2 . . 132.94(14) ?
O6M Cu3 O3M Cu2 3_576 . -26.62(14) y
O3S Cu3 O3M Cu2 . . -123.9(2) ?
O4 Si4 O4M Cu3 . . -129.4(3) ?
O3 Si4 O4M Cu3 . . -8.0(3) y
C41 Si4 O4M Cu3 . . 111.8(3) ?
O4 Si4 O4M Cu1 . 3_576 12.2(4) y
O3 Si4 O4M Cu1 . 3_576 133.6(3) ?
C41 Si4 O4M Cu1 . 3_576 -106.5(3) ?
O1M Cu3 O4M Si4 3_576 . -177.1(3) ?
O6M Cu3 O4M Si4 3_576 . 98.4(5) ?
O3M Cu3 O4M Si4 . . 22.9(3) y
O3S Cu3 O4M Si4 . . -75.3(3) ?
O1M Cu3 O4M Cu1 3_576 3_576 30.57(14) y
O6M Cu3 O4M Cu1 3_576 3_576 -53.9(5) ?
O3M Cu3 O4M Cu1 . 3_576 -129.49(15) ?
O3S Cu3 O4M Cu1 . 3_576 132.3(2) ?
O5 Si5 O5M Cu2 . 3_576 21.0(3) y
O4 Si5 O5M Cu2 . 3_576 141.9(3) ?
C51 Si5 O5M Cu2 . 3_576 -98.9(3) ?
O5 Si5 O5M Cu1 . 3_576 -140.2(3) ?
O4 Si5 O5M Cu1 . 3_576 -19.3(4) y
C51 Si5 O5M Cu1 . 3_576 99.9(3) ?
O6 Si6 O6M Cu2 . 3_576 -136.7(3) ?
O5 Si6 O6M Cu2 . 3_576 -16.5(3) y
C61 Si6 O6M Cu2 . 3_576 102.7(3) ?
O6 Si6 O6M Cu3 . 3_576 12.2(3) y
O5 Si6 O6M Cu3 . 3_576 132.5(3) ?
C61 Si6 O6M Cu3 . 3_576 -108.3(3) ?
O1M Si1 C11 C12 . . 102.6(6) ?
O1 Si1 C11 C12 . . -19.2(6) ?
O6 Si1 C11 C12 . . -136.0(5) ?
O1M Si1 C11 C16 . . -77.4(5) ?
O1 Si1 C11 C16 . . 160.8(5) ?
O6 Si1 C11 C16 . . 44.0(6) ?
C16 C11 C12 C13 . . 0.7(10) ?
Si1 C11 C12 C13 . . -179.3(6) ?
C11 C12 C13 C14 . . 0.0(12) ?
C12 C13 C14 C15 . . -1.9(12) ?
C13 C14 C15 C16 . . 3.1(12) ?
C14 C15 C16 C11 . . -2.4(11) ?
C12 C11 C16 C15 . . 0.5(10) ?
Si1 C11 C16 C15 . . -179.6(5) ?
O2M Si2 C21 C26 . . 119.7(5) ?
O1 Si2 C21 C26 . . -120.0(5) ?
O2 Si2 C21 C26 . . -2.0(6) ?
O2M Si2 C21 C22 . . -59.6(6) ?
O1 Si2 C21 C22 . . 60.7(6) ?
O2 Si2 C21 C22 . . 178.7(5) ?
C26 C21 C22 C23 . . 2.3(10) ?
Si2 C21 C22 C23 . . -178.3(6) ?
C21 C22 C23 C24 . . -0.4(12) ?
C22 C23 C24 C25 . . -1.5(12) ?
C23 C24 C25 C26 . . 1.3(11) ?
C22 C21 C26 C25 . . -2.5(10) ?
Si2 C21 C26 C25 . . 178.1(5) ?
C24 C25 C26 C21 . . 0.7(11) ?
O3M Si3 C31 C32 . . -18.7(6) ?
O2 Si3 C31 C32 . . 102.5(5) ?
O3 Si3 C31 C32 . . -141.2(5) ?
O3M Si3 C31 C36 . . 168.9(5) ?
O2 Si3 C31 C36 . . -69.8(6) ?
O3 Si3 C31 C36 . . 46.5(6) ?
C36 C31 C32 C33 . . -2.5(10) ?
Si3 C31 C32 C33 . . -175.3(5) ?
C31 C32 C33 C34 . . 1.5(11) ?
C32 C33 C34 C35 . . 0.8(12) ?
C33 C34 C35 C36 . . -2.0(13) ?
C32 C31 C36 C35 . . 1.3(10) ?
Si3 C31 C36 C35 . . 174.1(6) ?
C34 C35 C36 C31 . . 0.9(12) ?
O4M Si4 C41 C46 . . -35.1(5) ?
O4 Si4 C41 C46 . . -156.1(5) ?
O3 Si4 C41 C46 . . 86.7(5) ?
O4M Si4 C41 C42 . . 143.0(5) ?
O4 Si4 C41 C42 . . 22.0(6) ?
O3 Si4 C41 C42 . . -95.3(5) ?
C46 C41 C42 C43 . . 0.5(9) ?
Si4 C41 C42 C43 . . -177.6(5) ?
C41 C42 C43 C44 . . -0.8(11) ?
C42 C43 C44 C45 . . 0.4(12) ?
C43 C44 C45 C46 . . 0.2(12) ?
C44 C45 C46 C41 . . -0.5(11) ?
C42 C41 C46 C45 . . 0.1(9) ?
Si4 C41 C46 C45 . . 178.3(5) ?
O5M Si5 C51 C56 . . -95.9(6) ?
O5 Si5 C51 C56 . . 143.7(6) ?
O4 Si5 C51 C56 . . 24.8(6) ?
O5M Si5 C51 C52 . . 79.1(5) ?
O5 Si5 C51 C52 . . -41.3(6) ?
O4 Si5 C51 C52 . . -160.2(5) ?
C56 C51 C52 C53 . . -0.2(10) ?
Si5 C51 C52 C53 . . -175.5(6) ?
C51 C52 C53 C54 . . -0.8(11) ?
C52 C53 C54 C55 . . 1.0(12) ?
C53 C54 C55 C56 . . -0.3(13) ?
C52 C51 C56 C55 . . 0.9(11) ?
Si5 C51 C56 C55 . . 176.1(6) ?
C54 C55 C56 C51 . . -0.7(13) ?
O6M Si6 C61 C66 . . -30.6(5) ?
O6 Si6 C61 C66 . . -152.8(4) ?
O5 Si6 C61 C66 . . 90.0(5) ?
O6M Si6 C61 C62 . . 152.7(4) ?
O6 Si6 C61 C62 . . 30.4(5) ?
O5 Si6 C61 C62 . . -86.8(5) ?
C66 C61 C62 C63 . . -1.9(9) ?
Si6 C61 C62 C63 . . 175.1(5) ?
C61 C62 C63 C64 . . 0.6(10) ?
C62 C63 C64 C65 . . 1.5(10) ?
C63 C64 C65 C66 . . -2.3(10) ?
C64 C65 C66 C61 . . 1.0(9) ?
C62 C61 C66 C65 . . 1.0(9) ?
Si6 C61 C66 C65 . . -175.9(5) ?
O2M Cu1 O1S C1S . . -164.7(5) ?
O5M Cu1 O1S C1S 3_576 . -83.5(5) ?
O4M Cu1 O1S C1S 3_576 . 14.1(5) ?
O1M Cu1 O1S C1S . . 97.6(5) ?
Cu1 O1S C1S N1S . . 171.1(5) y
C3S N1S C1S O1S . . -0.3(12) y
C2S N1S C1S O1S . . -179.2(7) ?
O6M Cu2 O2S C4S 3_576 . -131.6(4) ?
O2M Cu2 O2S C4S . . 48.7(4) ?
O5M Cu2 O2S C4S 3_576 . -32.5(5) ?
O3M Cu2 O2S C4S . . 146.4(4) ?
Cu2 O2S C4S N2S . . -165.7(5) y
C6S N2S C4S O2S . . -179.4(6) ?
C5S N2S C4S O2S . . 7.6(10) y
O1M Cu3 O3S C7S 3_576 . -136.0(4) ?
O4M Cu3 O3S C7S . . 139.8(4) ?
O6M Cu3 O3S C7S 3_576 . -37.9(5) ?
O3M Cu3 O3S C7S . . 42.9(5) ?
Cu3 O3S C7S N3S . . 179.7(5) y
C8S N3S C7S O3S . . -178.5(7) ?
C9S N3S C7S O3S . . 2.0(11) y
C3SS N1SS C1SS O1SS . . 176.0(8) ?
C2SS N1SS C1SS O1SS . . -2.8(12) y
C6SS N2SS C4SS O2SS . . -2.8(14) y
C5SS N2SS C4SS O2SS . . 177.4(8) ?
