#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/53/2015324.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_2015324
loop_
_publ_author_name
'Zherlitsyna, Larissa'
'Auner, Norbert'
'Bolte, Michael'
_publ_section_title
;Bis(μ₆-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)]
 dimethylformamide solvate enclosing a pyrazine molecule
;
_journal_coeditor_code           SK3009
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m199
_journal_page_last               m200
_journal_paper_doi               10.1107/S0108270106008924
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Cu8 (C8 H24 O2 Si)2 (C3 H7 N O)8] , C4 H4 N2, C3 H7 N O'
_chemical_formula_moiety
'C40 H104 Cu8 N8 O40 Si16 , C4 H4 N2 , C3 H7 N O'
_chemical_formula_sum            'C47 H115 Cu8 N11 O41 Si16'
_chemical_formula_weight         2448.26
_chemical_name_systematic
;
Bis(μ₆-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-
2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)]
dimethylformamide pyrazine 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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.679(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.9402(16)
_cell_length_b                   18.6388(18)
_cell_length_c                   17.2684(16)
_cell_measurement_reflns_used    20012
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.8
_cell_measurement_theta_min      3.5
_cell_volume                     5101.1(9)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2001)'
_computing_data_reduction        X-AREA
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 1991)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Stoe IPDS-II two-circle'
_diffrn_measurement_method       ω
_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  0.0844
_diffrn_reflns_av_sigmaI/netI    0.1325
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39433
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.82
_diffrn_reflns_theta_min         3.58
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.904
_exptl_absorpt_correction_T_max  0.7256
_exptl_absorpt_correction_T_min  0.6794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULABS; Spek, 2003; Blessing, 1995)'
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2516
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.663
_refine_diff_density_min         -0.448
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.743
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         9372
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.743
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0111P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0613
_refine_ls_wR_factor_ref         0.0688
_reflns_number_gt                5221
_reflns_number_total             9372
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sk3009.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2015324
_cod_database_fobs_code          2015324
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_type_symbol
_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
Cu Cu1 0.61832(3) 0.58601(3) 0.68719(4) 0.02475(13) Uani d . 1
Cu Cu2 0.45876(4) 0.54479(3) 0.70145(4) 0.02500(14) Uani d . 1
Cu Cu3 0.31675(4) 0.47343(3) 0.59180(4) 0.02674(14) Uani d . 1
Cu Cu4 0.29044(4) 0.42052(3) 0.43051(4) 0.02570(14) Uani d . 1
Si Si1 0.74894(8) 0.45479(7) 0.70793(9) 0.0270(3) Uani d . 1
C C1 0.8515(3) 0.4746(3) 0.7893(3) 0.0382(13) Uani d . 1
H H1A 0.8781 0.4298 0.8152 0.057 Uiso calc R 1
H H1B 0.8427 0.5058 0.8312 0.057 Uiso calc R 1
H H1C 0.8882 0.4990 0.7646 0.057 Uiso calc R 1
O O1 0.6873(2) 0.41277(17) 0.7468(2) 0.0312(8) Uani d . 1
O O11 0.70293(19) 0.52759(15) 0.6640(2) 0.0268(7) Uani d . 1
Si Si2 0.61954(8) 0.43980(7) 0.78820(9) 0.0279(3) Uani d . 1
C C2 0.6729(4) 0.4518(3) 0.8994(4) 0.0420(13) Uani d . 1
H H2A 0.6988 0.4063 0.9242 0.063 Uiso calc R 1
H H2B 0.6319 0.4669 0.9243 0.063 Uiso calc R 1
H H2C 0.7168 0.4885 0.9093 0.063 Uiso calc R 1
O O2 0.5479(2) 0.37751(17) 0.7724(2) 0.0347(9) Uani d . 1
O O21 0.57591(19) 0.51298(15) 0.7441(2) 0.0267(8) Uani d . 1
Si Si3 0.44505(9) 0.37552(7) 0.73938(9) 0.0273(3) Uani d . 1
C C3 0.4120(4) 0.3537(3) 0.8286(4) 0.0420(14) Uani d . 1
H H3A 0.4368 0.3077 0.8527 0.063 Uiso calc R 1
H H3B 0.3504 0.3504 0.8096 0.063 Uiso calc R 1
H H3C 0.4315 0.3915 0.8705 0.063 Uiso calc R 1
O O3 0.4139(2) 0.31078(16) 0.6723(2) 0.0347(8) Uani d . 1
O O31 0.40607(19) 0.45069(16) 0.6977(2) 0.0281(7) Uani d . 1
Si Si4 0.34807(9) 0.30198(7) 0.57851(9) 0.0285(3) Uani d . 1
C C4 0.2652(4) 0.2386(3) 0.5796(5) 0.0536(17) Uani d . 1
H H4A 0.2911 0.1928 0.6032 0.080 Uiso calc R 1
H H4B 0.2260 0.2309 0.5230 0.080 Uiso calc R 1
H H4C 0.2345 0.2583 0.6134 0.080 Uiso calc R 1
O O4 0.4000(2) 0.26760(17) 0.5242(2) 0.0341(9) Uani d . 1
O O41 0.3087(2) 0.37897(16) 0.5401(2) 0.0293(8) Uani d . 1
Si Si5 0.39066(9) 0.27406(6) 0.42748(9) 0.0267(3) Uani d . 1
C C5 0.3174(3) 0.2040(3) 0.3677(4) 0.0426(14) Uani d . 1
H H5A 0.3393 0.1566 0.3896 0.064 Uiso calc R 1
H H5B 0.3119 0.2071 0.3094 0.064 Uiso calc R 1
H H5C 0.2619 0.2111 0.3725 0.064 Uiso calc R 1
O O5 0.4841(2) 0.26220(16) 0.4209(2) 0.0303(8) Uani d . 1
O O51 0.35746(19) 0.35323(15) 0.3940(2) 0.0269(8) Uani d . 1
Si Si6 0.52381(9) 0.28975(7) 0.35316(9) 0.0282(3) Uani d . 1
C C6 0.5001(4) 0.2226(3) 0.2700(4) 0.0409(14) Uani d . 1
H H6A 0.5236 0.1761 0.2935 0.061 Uiso calc R 1
H H6B 0.5252 0.2376 0.2294 0.061 Uiso calc R 1
H H6C 0.4388 0.2182 0.2427 0.061 Uiso calc R 1
O O6 0.6260(2) 0.29511(16) 0.3997(2) 0.0311(8) Uani d . 1
O O61 0.4872(2) 0.36741(15) 0.3195(2) 0.0273(7) Uani d . 1
Si Si7 0.69851(8) 0.35213(7) 0.39817(9) 0.0275(3) Uani d . 1
C C7 0.7528(4) 0.3141(3) 0.3316(4) 0.0438(14) Uani d . 1
H H7A 0.7775 0.2676 0.3538 0.066 Uiso calc R 1
H H7B 0.7976 0.3469 0.3304 0.066 Uiso calc R 1
H H7C 0.7122 0.3077 0.2753 0.066 Uiso calc R 1
O O7 0.7651(2) 0.36052(17) 0.4918(2) 0.0312(8) Uani d . 1
O O71 0.65712(19) 0.42832(16) 0.3644(2) 0.0277(7) Uani d . 1
Si Si8 0.79477(8) 0.42484(7) 0.56099(9) 0.0283(3) Uani d . 1
C C8 0.9120(3) 0.4305(3) 0.6004(4) 0.0394(13) Uani d . 1
H H8A 0.9359 0.3843 0.6246 0.059 Uiso calc R 1
H H8B 0.9306 0.4680 0.6428 0.059 Uiso calc R 1
H H8C 0.9312 0.4421 0.5547 0.059 Uiso calc R 1
O O8 0.7646(2) 0.40367(16) 0.6376(2) 0.0300(8) Uani d . 1
O O81 0.7529(2) 0.49986(16) 0.5205(2) 0.0307(8) Uani d . 1
O O101 0.7082(2) 0.63818(18) 0.8033(2) 0.0407(9) Uani d . 1
C C101 0.7708(3) 0.6642(3) 0.7925(4) 0.0366(13) Uani d . 1
H H101 0.7772 0.6553 0.7408 0.044 Uiso calc R 1
N N101 0.8289(3) 0.7029(2) 0.8466(3) 0.0371(11) Uani d . 1
C C102 0.8231(4) 0.7203(4) 0.9262(5) 0.075(2) Uani d . 1
H H10A 0.7856 0.7616 0.9202 0.112 Uiso calc R 1
H H10B 0.8793 0.7321 0.9656 0.112 Uiso calc R 1
H H10C 0.8004 0.6790 0.9468 0.112 Uiso calc R 1
C C103 0.8955(4) 0.7381(3) 0.8256(5) 0.0575(18) Uani d . 1
H H10D 0.8946 0.7207 0.7717 0.086 Uiso calc R 1
H H10E 0.9504 0.7272 0.8680 0.086 Uiso calc R 1
H H10F 0.8863 0.7901 0.8229 0.086 Uiso calc R 1
O O201 0.4537(2) 0.5863(2) 0.8260(2) 0.0455(9) Uani d . 1
C C201 0.5187(4) 0.6185(3) 0.8639(3) 0.0377(13) Uani d . 1
H H201 0.5675 0.6065 0.8514 0.045 Uiso calc R 1
N N201 0.5276(3) 0.6690(2) 0.9209(3) 0.0411(11) Uani d . 1
C C202 0.4545(4) 0.6934(4) 0.9384(5) 0.068(2) Uani d . 1
H H20A 0.4058 0.6635 0.9084 0.101 Uiso calc R 1
H H20B 0.4425 0.7434 0.9208 0.101 Uiso calc R 1
H H20C 0.4659 0.6899 0.9980 0.101 Uiso calc R 1
C C203 0.6070(4) 0.7041(4) 0.9607(4) 0.0582(18) Uani d . 1
H H20D 0.6250 0.6971 1.0206 0.087 Uiso calc R 1
H H20E 0.6009 0.7556 0.9482 0.087 Uiso calc R 1
H H20F 0.6493 0.6838 0.9403 0.087 Uiso calc R 1
O O301 0.2101(3) 0.4628(2) 0.6551(3) 0.0566(11) Uani d . 1
C C301 0.2419(4) 0.4876(3) 0.7256(4) 0.0475(16) Uani d . 1
H H301 0.2887 0.5190 0.7359 0.057 Uiso calc R 1
N N301 0.2161(3) 0.4739(3) 0.7882(3) 0.0540(14) Uani d . 1
C C302 0.1487(5) 0.4250(5) 0.7797(6) 0.092(3) Uani d . 1
H H30A 0.1172 0.4164 0.7208 0.138 Uiso calc R 1
H H30B 0.1108 0.4454 0.8056 0.138 Uiso calc R 1
H H30C 0.1717 0.3795 0.8067 0.138 Uiso calc R 1
C C303 0.2584(5) 0.5034(4) 0.8683(5) 0.076(2) Uani d . 1
H H30D 0.3125 0.5237 0.8708 0.114 Uiso calc R 1
H H30E 0.2682 0.4655 0.9101 0.114 Uiso calc R 1
H H30F 0.2234 0.5411 0.8793 0.114 Uiso calc R 1
O O401 0.1560(2) 0.3710(2) 0.3667(3) 0.0464(10) Uani d . 1
C C401 0.1138(3) 0.3777(3) 0.4103(4) 0.0448(15) Uani d . 1
H H401 0.1427 0.3847 0.4679 0.054 Uiso calc R 1
N N401 0.0290(3) 0.3760(3) 0.3827(3) 0.0493(13) Uani d . 1
C C402 -0.0181(4) 0.3672(5) 0.2946(5) 0.075(2) Uani d . 1
H H40A 0.0213 0.3637 0.2647 0.112 Uiso calc R 1
H H40B -0.0553 0.4086 0.2741 0.112 Uiso calc R 1
H H40C -0.0521 0.3234 0.2856 0.112 Uiso calc R 1
C C403 -0.0165(4) 0.3885(4) 0.4370(5) 0.066(2) Uani d . 1
H H40D 0.0233 0.3930 0.4939 0.100 Uiso calc R 1
H H40E -0.0547 0.3482 0.4334 0.100 Uiso calc R 1
H H40F -0.0492 0.4328 0.4208 0.100 Uiso calc R 1
N N91 0.4476(3) 0.4976(2) 0.5457(3) 0.0432(12) Uani d . 1
C C92 0.4465(3) 0.5524(3) 0.4952(3) 0.0339(12) Uani d . 1
H H92 0.4087 0.5911 0.4910 0.041 Uiso calc R 1
C C93 0.4967(3) 0.5546(3) 0.4507(3) 0.0311(12) Uani d . 1
H H93 0.4929 0.5944 0.4153 0.037 Uiso calc R 1
O O1L 0.0819(13) 0.5343(18) 0.9088(15) 0.229(12) Uani d P 0.50
C C1L 0.0413(18) 0.5546(19) 0.9504(19) 0.155(13) Uani d P 0.50
H H1L 0.0332 0.6048 0.9543 0.186 Uiso calc PR 0.50
N N1L 0.0000 0.5000 1.0000 0.218(15) Uani d S 1
C C2L 0.0427(10) 0.4476(9) 0.9813(11) 0.209(9) Uani d . 1
H H2LA 0.0306 0.4027 1.0045 0.313 Uiso d R 1
H H2LB 0.0254 0.4430 0.9211 0.313 Uiso d R 1
H H2LC 0.1034 0.4576 1.0049 0.313 Uiso d R 1
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'
Cu Cu 0.3201 1.2651 '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'
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
O11 Cu1 O61 . 3_666 163.57(15)
O11 Cu1 O51 . 3_666 79.65(12)
O61 Cu1 O51 3_666 3_666 96.87(12)
O11 Cu1 O21 . . 98.15(12)
O61 Cu1 O21 3_666 . 81.28(12)
O51 Cu1 O21 3_666 . 165.86(15)
O11 Cu1 O101 . . 96.26(13)
O61 Cu1 O101 3_666 . 100.14(13)
O51 Cu1 O101 3_666 . 98.10(13)
O21 Cu1 O101 . . 96.02(13)
O11 Cu1 Cu2 . . 130.04(9)
O61 Cu1 Cu2 3_666 . 42.50(8)
O51 Cu1 Cu2 3_666 . 130.65(10)
O21 Cu1 Cu2 . . 41.91(9)
O101 Cu1 Cu2 . . 113.15(8)
O11 Cu1 Cu4 . 3_666 40.17(9)
O61 Cu1 Cu4 3_666 3_666 131.82(10)
O51 Cu1 Cu4 3_666 3_666 40.39(8)
O21 Cu1 Cu4 . 3_666 133.60(9)
O101 Cu1 Cu4 . 3_666 105.98(8)
Cu2 Cu1 Cu4 . 3_666 140.84(3)
O21 Cu2 O71 . 3_666 167.67(14)
O21 Cu2 O31 . . 97.55(13)
O71 Cu2 O31 3_666 . 81.85(13)
O21 Cu2 O61 . 3_666 81.07(12)
O71 Cu2 O61 3_666 3_666 96.69(13)
O31 Cu2 O61 . 3_666 166.85(13)
O21 Cu2 O201 . . 96.73(14)
O71 Cu2 O201 3_666 . 95.51(13)
O31 Cu2 O201 . . 99.40(13)
O61 Cu2 O201 3_666 . 93.75(13)
O21 Cu2 Cu3 . . 128.66(10)
O71 Cu2 Cu3 3_666 . 44.42(9)
O31 Cu2 Cu3 . . 44.24(10)
O61 Cu2 Cu3 3_666 . 127.69(11)
O201 Cu2 Cu3 . . 118.63(9)
O21 Cu2 Cu1 . . 42.13(8)
O71 Cu2 Cu1 3_666 . 131.03(9)
O31 Cu2 Cu1 . . 131.40(9)
O61 Cu2 Cu1 3_666 . 42.05(8)
O201 Cu2 Cu1 . . 109.37(9)
Cu3 Cu2 Cu1 . . 131.93(3)
O81 Cu3 O41 3_666 . 81.68(14)
O81 Cu3 O31 3_666 . 168.45(12)
O41 Cu3 O31 . . 97.90(14)
O81 Cu3 O71 3_666 3_666 96.86(13)
O41 Cu3 O71 . 3_666 168.80(12)
O31 Cu3 O71 . 3_666 81.30(13)
O81 Cu3 O301 3_666 . 100.61(14)
O41 Cu3 O301 . . 100.87(13)
O31 Cu3 O301 . . 90.82(14)
O71 Cu3 O301 3_666 . 90.33(13)
O81 Cu3 Cu2 3_666 . 128.53(10)
O41 Cu3 Cu2 . . 129.59(10)
O31 Cu3 Cu2 . . 44.06(9)
O71 Cu3 Cu2 3_666 . 43.97(9)
O301 Cu3 Cu2 . . 109.34(11)
O81 Cu3 Cu4 3_666 . 43.99(9)
O41 Cu3 Cu4 . . 43.78(10)
O31 Cu3 Cu4 . . 129.88(9)
O71 Cu3 Cu4 3_666 . 129.45(9)
O301 Cu3 Cu4 . . 121.96(11)
Cu2 Cu3 Cu4 . . 128.69(2)
O11 Cu4 O51 3_666 . 80.48(12)
O11 Cu4 O41 3_666 . 166.69(14)
O51 Cu4 O41 . . 98.44(13)
O11 Cu4 O81 3_666 3_666 97.26(13)
O51 Cu4 O81 . 3_666 166.93(14)
O41 Cu4 O81 . 3_666 80.78(13)
O11 Cu4 O401 3_666 . 97.87(14)
O51 Cu4 O401 . . 100.15(13)
O41 Cu4 O401 . . 95.38(14)
O81 Cu4 O401 3_666 . 92.90(13)
O11 Cu4 Cu3 3_666 . 128.20(9)
O51 Cu4 Cu3 . . 129.51(10)
O41 Cu4 Cu3 . . 43.54(9)
O81 Cu4 Cu3 3_666 . 43.23(10)
O401 Cu4 Cu3 . . 112.84(9)
O11 Cu4 Cu1 3_666 3_666 40.62(8)
O51 Cu4 Cu1 . 3_666 40.78(9)
O41 Cu4 Cu1 . 3_666 134.63(9)
O81 Cu4 Cu1 3_666 3_666 133.53(9)
O401 Cu4 Cu1 . 3_666 108.55(9)
Cu3 Cu4 Cu1 . 3_666 138.55(3)
O11 Si1 O1 . . 108.95(16)
O11 Si1 O8 . . 108.54(18)
O1 Si1 O8 . . 108.77(17)
O11 Si1 C1 . . 111.0(2)
O1 Si1 C1 . . 110.6(2)
O8 Si1 C1 . . 109.0(2)
Si1 C1 H1A . . 109.5
Si1 C1 H1B . . 109.5
H1A C1 H1B . . 109.5
Si1 C1 H1C . . 109.5
H1A C1 H1C . . 109.5
H1B C1 H1C . . 109.5
Si1 O1 Si2 . . 133.3(2)
Si1 O11 Cu4 . 3_666 130.91(17)
Si1 O11 Cu1 . . 129.78(17)
Cu4 O11 Cu1 3_666 . 99.21(14)
O21 Si2 O2 . . 109.52(18)
O21 Si2 O1 . . 109.36(16)
O2 Si2 O1 . . 107.65(18)
O21 Si2 C2 . . 111.6(2)
O2 Si2 C2 . . 109.1(2)
O1 Si2 C2 . . 109.5(2)
Si2 C2 H2A . . 109.5
Si2 C2 H2B . . 109.5
H2A C2 H2B . . 109.5
Si2 C2 H2C . . 109.5
H2A C2 H2C . . 109.5
H2B C2 H2C . . 109.5
Si2 O2 Si3 . . 135.6(2)
Si2 O21 Cu2 . . 132.29(17)
Si2 O21 Cu1 . . 129.66(17)
Cu2 O21 Cu1 . . 95.96(14)
O31 Si3 O3 . . 110.43(19)
O31 Si3 O2 . . 110.85(17)
O3 Si3 O2 . . 107.67(18)
O31 Si3 C3 . . 111.4(2)
O3 Si3 C3 . . 108.1(2)
O2 Si3 C3 . . 108.2(2)
Si3 C3 H3A . . 109.5
Si3 C3 H3B . . 109.5
H3A C3 H3B . . 109.5
Si3 C3 H3C . . 109.5
H3A C3 H3C . . 109.5
H3B C3 H3C . . 109.5
Si4 O3 Si3 . . 136.4(2)
Si3 O31 Cu2 . . 131.0(2)
Si3 O31 Cu3 . . 131.7(2)
Cu2 O31 Cu3 . . 91.70(13)
O3 Si4 O41 . . 110.98(18)
O3 Si4 O4 . . 107.20(19)
O41 Si4 O4 . . 109.91(17)
O3 Si4 C4 . . 108.2(3)
O41 Si4 C4 . . 111.6(3)
O4 Si4 C4 . . 108.8(2)
Si4 C4 H4A . . 109.5
Si4 C4 H4B . . 109.5
H4A C4 H4B . . 109.5
Si4 C4 H4C . . 109.5
H4A C4 H4C . . 109.5
H4B C4 H4C . . 109.5
Si5 O4 Si4 . . 133.4(2)
Si4 O41 Cu3 . . 131.1(2)
Si4 O41 Cu4 . . 130.11(18)
Cu3 O41 Cu4 . . 92.68(13)
O51 Si5 O4 . . 109.32(17)
O51 Si5 O5 . . 108.77(16)
O4 Si5 O5 . . 108.34(19)
O51 Si5 C5 . . 111.5(2)
O4 Si5 C5 . . 108.9(2)
O5 Si5 C5 . . 109.9(2)
Si5 C5 H5A . . 109.5
Si5 C5 H5B . . 109.5
H5A C5 H5B . . 109.5
Si5 C5 H5C . . 109.5
H5A C5 H5C . . 109.5
H5B C5 H5C . . 109.5
Si6 O5 Si5 . . 131.4(2)
Si5 O51 Cu4 . . 130.22(18)
Si5 O51 Cu1 . 3_666 130.70(17)
Cu4 O51 Cu1 . 3_666 98.83(13)
O61 Si6 O5 . . 109.96(16)
O61 Si6 O6 . . 109.32(17)
O5 Si6 O6 . . 107.51(19)
O61 Si6 C6 . . 112.5(2)
O5 Si6 C6 . . 108.4(2)
O6 Si6 C6 . . 109.1(2)
Si6 C6 H6A . . 109.5
Si6 C6 H6B . . 109.5
H6A C6 H6B . . 109.5
Si6 C6 H6C . . 109.5
H6A C6 H6C . . 109.5
H6B C6 H6C . . 109.5
Si7 O6 Si6 . . 134.8(2)
Si6 O61 Cu1 . 3_666 130.72(17)
Si6 O61 Cu2 . 3_666 132.21(18)
Cu1 O61 Cu2 3_666 3_666 95.45(13)
O71 Si7 O7 . . 109.81(18)
O71 Si7 O6 . . 110.41(17)
O7 Si7 O6 . . 108.05(19)
O71 Si7 C7 . . 111.4(2)
O7 Si7 C7 . . 109.5(2)
O6 Si7 C7 . . 107.6(2)
Si7 C7 H7A . . 109.5
Si7 C7 H7B . . 109.5
H7A C7 H7B . . 109.5
Si7 C7 H7C . . 109.5
H7A C7 H7C . . 109.5
H7B C7 H7C . . 109.5
Si7 O7 Si8 . . 136.3(2)
Si7 O71 Cu2 . 3_666 131.33(19)
Si7 O71 Cu3 . 3_666 132.5(2)
Cu2 O71 Cu3 3_666 3_666 91.62(12)
O81 Si8 O8 . . 110.27(16)
O81 Si8 O7 . . 110.10(19)
O8 Si8 O7 . . 108.18(17)
O81 Si8 C8 . . 111.1(2)
O8 Si8 C8 . . 108.5(2)
O7 Si8 C8 . . 108.7(2)
Si8 C8 H8A . . 109.5
Si8 C8 H8B . . 109.5
H8A C8 H8B . . 109.5
Si8 C8 H8C . . 109.5
H8A C8 H8C . . 109.5
H8B C8 H8C . . 109.5
Si8 O8 Si1 . . 129.9(2)
Si8 O81 Cu3 . 3_666 132.3(2)
Si8 O81 Cu4 . 3_666 129.8(2)
Cu3 O81 Cu4 3_666 3_666 92.77(14)
C101 O101 Cu1 . . 112.2(3)
O101 C101 N101 . . 125.0(5)
O101 C101 H101 . . 117.5
N101 C101 H101 . . 117.5
C101 N101 C102 . . 121.1(5)
C101 N101 C103 . . 121.5(5)
C102 N101 C103 . . 116.9(5)
N101 C102 H10A . . 109.5
N101 C102 H10B . . 109.5
H10A C102 H10B . . 109.5
N101 C102 H10C . . 109.5
H10A C102 H10C . . 109.5
H10B C102 H10C . . 109.5
N101 C103 H10D . . 109.5
N101 C103 H10E . . 109.5
H10D C103 H10E . . 109.5
N101 C103 H10F . . 109.5
H10D C103 H10F . . 109.5
H10E C103 H10F . . 109.5
C201 O201 Cu2 . . 109.8(3)
O201 C201 N201 . . 126.0(5)
O201 C201 H201 . . 117.0
N201 C201 H201 . . 117.0
C201 N201 C203 . . 121.1(5)
C201 N201 C202 . . 119.7(5)
C203 N201 C202 . . 118.9(5)
N201 C202 H20A . . 109.5
N201 C202 H20B . . 109.5
H20A C202 H20B . . 109.5
N201 C202 H20C . . 109.5
H20A C202 H20C . . 109.5
H20B C202 H20C . . 109.5
N201 C203 H20D . . 109.5
N201 C203 H20E . . 109.5
H20D C203 H20E . . 109.5
N201 C203 H20F . . 109.5
H20D C203 H20F . . 109.5
H20E C203 H20F . . 109.5
C301 O301 Cu3 . . 106.1(3)
O301 C301 N301 . . 125.2(6)
O301 C301 H301 . . 117.4
N301 C301 H301 . . 117.4
C301 N301 C303 . . 121.3(5)
C301 N301 C302 . . 121.4(6)
C303 N301 C302 . . 117.2(5)
N301 C302 H30A . . 109.5
N301 C302 H30B . . 109.5
H30A C302 H30B . . 109.5
N301 C302 H30C . . 109.5
H30A C302 H30C . . 109.5
H30B C302 H30C . . 109.5
N301 C303 H30D . . 109.5
N301 C303 H30E . . 109.5
H30D C303 H30E . . 109.5
N301 C303 H30F . . 109.5
H30D C303 H30F . . 109.5
H30E C303 H30F . . 109.5
C401 O401 Cu4 . . 110.8(4)
O401 C401 N401 . . 124.6(6)
O401 C401 H401 . . 117.7
N401 C401 H401 . . 117.7
C401 N401 C403 . . 121.4(6)
C401 N401 C402 . . 119.7(5)
C403 N401 C402 . . 118.8(5)
N401 C402 H40A . . 109.5
N401 C402 H40B . . 109.5
H40A C402 H40B . . 109.5
N401 C402 H40C . . 109.5
H40A C402 H40C . . 109.5
H40B C402 H40C . . 109.5
N401 C403 H40D . . 109.5
N401 C403 H40E . . 109.5
H40D C403 H40E . . 109.5
N401 C403 H40F . . 109.5
H40D C403 H40F . . 109.5
H40E C403 H40F . . 109.5
C93 N91 C92 3_666 . 115.5(4)
C93 C92 N91 . . 122.2(4)
C93 C92 H92 . . 118.9
N91 C92 H92 . . 118.9
C92 C93 N91 . 3_666 122.2(5)
C92 C93 H93 . . 118.9
N91 C93 H93 3_666 . 118.9
O1L C1L N1L . . 123(3)
O1L C1L H1L . . 118.3
N1L C1L H1L . . 118.3
C2L N1L C2L 3_567 . 179.998(8)
C2L N1L C1L 3_567 . 92.3(12)
C2L N1L C1L . . 87.7(12)
C2L N1L C1L 3_567 3_567 87.7(12)
C2L N1L C1L . 3_567 92.3(12)
C1L N1L C1L . 3_567 180.0(16)
N1L C2L H2LA . . 108.6
N1L C2L H2LB . . 109.8
H2LA C2L H2LB . . 109.5
N1L C2L H2LC . . 110.0
H2LA C2L H2LC . . 109.5
H2LB C2L H2LC . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cu1 O11 . 1.951(3)
Cu1 O61 3_666 1.953(3)
Cu1 O51 3_666 1.956(3)
Cu1 O21 . 1.958(3)
Cu1 O101 . 2.265(4)
Cu1 Cu2 . 2.9030(8)
Cu1 Cu4 3_666 2.9587(7)
Cu2 O21 . 1.949(3)
Cu2 O71 3_666 1.955(3)
Cu2 O31 . 1.959(3)
Cu2 O61 3_666 1.970(3)
Cu2 O201 . 2.316(4)
Cu2 Cu3 . 2.8150(9)
Cu3 O81 3_666 1.946(4)
Cu3 O41 . 1.957(3)
Cu3 O31 . 1.965(3)
Cu3 O71 3_666 1.971(3)
Cu3 O301 . 2.428(4)
Cu3 Cu4 . 2.8377(9)
Cu4 O11 3_666 1.934(3)
Cu4 O51 . 1.940(3)
Cu4 O41 . 1.966(3)
Cu4 O81 3_666 1.973(3)
Cu4 O401 . 2.341(4)
Cu4 Cu1 3_666 2.9586(7)
Si1 O11 . 1.615(3)
Si1 O1 . 1.629(3)
Si1 O8 . 1.637(3)
Si1 C1 . 1.846(6)
C1 H1A . 0.9800
C1 H1B . 0.9800
C1 H1C . 0.9800
O1 Si2 . 1.631(3)
O11 Cu4 3_666 1.934(3)
Si2 O21 . 1.609(3)
Si2 O2 . 1.631(3)
Si2 C2 . 1.824(6)
C2 H2A . 0.9800
C2 H2B . 0.9800
C2 H2C . 0.9800
O2 Si3 . 1.632(4)
Si3 O31 . 1.607(3)
Si3 O3 . 1.627(4)
Si3 C3 . 1.860(5)
C3 H3A . 0.9800
C3 H3B . 0.9800
C3 H3C . 0.9800
O3 Si4 . 1.617(4)
Si4 O41 . 1.622(3)
Si4 O4 . 1.627(3)
Si4 C4 . 1.840(5)
C4 H4A . 0.9800
C4 H4B . 0.9800
C4 H4C . 0.9800
O4 Si5 . 1.625(4)
Si5 O51 . 1.612(3)
Si5 O5 . 1.641(3)
Si5 C5 . 1.846(5)
C5 H5A . 0.9800
C5 H5B . 0.9800
C5 H5C . 0.9800
O5 Si6 . 1.625(3)
O51 Cu1 3_666 1.956(3)
Si6 O61 . 1.601(3)
Si6 O6 . 1.635(4)
Si6 C6 . 1.840(5)
C6 H6A . 0.9800
C6 H6B . 0.9800
C6 H6C . 0.9800
O6 Si7 . 1.631(3)
O61 Cu1 3_666 1.953(3)
O61 Cu2 3_666 1.970(3)
Si7 O71 . 1.600(3)
Si7 O7 . 1.619(4)
Si7 C7 . 1.849(5)
C7 H7A . 0.9800
C7 H7B . 0.9800
C7 H7C . 0.9800
O7 Si8 . 1.641(4)
O71 Cu2 3_666 1.955(3)
O71 Cu3 3_666 1.971(3)
Si8 O81 . 1.611(3)
Si8 O8 . 1.626(3)
Si8 C8 . 1.861(5)
C8 H8A . 0.9800
C8 H8B . 0.9800
C8 H8C . 0.9800
O81 Cu3 3_666 1.946(4)
O81 Cu4 3_666 1.973(3)
O101 C101 . 1.241(6)
C101 N101 . 1.308(7)
C101 H101 . 0.9500
N101 C102 . 1.449(8)
N101 C103 . 1.459(6)
C102 H10A . 0.9800
C102 H10B . 0.9800
C102 H10C . 0.9800
C103 H10D . 0.9800
C103 H10E . 0.9800
C103 H10F . 0.9800
O201 C201 . 1.223(6)
C201 N201 . 1.333(7)
C201 H201 . 0.9500
N201 C203 . 1.434(7)
N201 C202 . 1.447(7)
C202 H20A . 0.9800
C202 H20B . 0.9800
C202 H20C . 0.9800
C203 H20D . 0.9800
C203 H20E . 0.9800
C203 H20F . 0.9800
O301 C301 . 1.235(7)
C301 N301 . 1.326(7)
C301 H301 . 0.9500
N301 C303 . 1.425(9)
N301 C302 . 1.427(8)
C302 H30A . 0.9800
C302 H30B . 0.9800
C302 H30C . 0.9800
C303 H30D . 0.9800
C303 H30E . 0.9800
C303 H30F . 0.9800
O401 C401 . 1.213(6)
C401 N401 . 1.345(7)
C401 H401 . 0.9500
N401 C403 . 1.425(7)
N401 C402 . 1.458(9)
C402 H40A . 0.9800
C402 H40B . 0.9800
C402 H40C . 0.9800
C403 H40D . 0.9800
C403 H40E . 0.9800
C403 H40F . 0.9800
N91 C93 3_666 1.341(6)
N91 C92 . 1.340(7)
C92 C93 . 1.333(6)
C92 H92 . 0.9500
C93 N91 3_666 1.341(6)
C93 H93 . 0.9500
O1L C1L . 1.22(3)
C1L N1L . 1.64(4)
C1L H1L . 0.9500
N1L C2L 3_567 1.322(19)
N1L C2L . 1.322(19)
N1L C1L 3_567 1.64(4)
C2L H2LA . 0.9800
C2L H2LB . 0.9800
C2L H2LC . 0.9800
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
O11 Cu1 Cu2 O21 . . 48.76(19)
O61 Cu1 Cu2 O21 3_666 . -151.6(2)
O51 Cu1 Cu2 O21 3_666 . 163.10(19)
O101 Cu1 Cu2 O21 . . -72.20(18)
Cu4 Cu1 Cu2 O21 3_666 . 105.48(15)
O11 Cu1 Cu2 O71 . 3_666 -116.83(18)
O61 Cu1 Cu2 O71 3_666 3_666 42.8(2)
O51 Cu1 Cu2 O71 3_666 3_666 -2.48(18)
O21 Cu1 Cu2 O71 . 3_666 -165.6(2)
O101 Cu1 Cu2 O71 . 3_666 122.22(16)
Cu4 Cu1 Cu2 O71 3_666 3_666 -60.11(13)
O11 Cu1 Cu2 O31 . . 4.29(19)
O61 Cu1 Cu2 O31 3_666 . 163.9(2)
O51 Cu1 Cu2 O31 3_666 . 118.63(18)
O21 Cu1 Cu2 O31 . . -44.5(2)
O101 Cu1 Cu2 O31 . . -116.67(17)
Cu4 Cu1 Cu2 O31 3_666 . 61.01(14)
O11 Cu1 Cu2 O61 . 3_666 -159.6(2)
O51 Cu1 Cu2 O61 3_666 3_666 -45.27(19)
O21 Cu1 Cu2 O61 . 3_666 151.6(2)
O101 Cu1 Cu2 O61 . 3_666 79.44(18)
Cu4 Cu1 Cu2 O61 3_666 3_666 -102.89(16)
O11 Cu1 Cu2 O201 . . 127.02(17)
O61 Cu1 Cu2 O201 3_666 . -73.36(19)
O51 Cu1 Cu2 O201 3_666 . -118.63(16)
O21 Cu1 Cu2 O201 . . 78.27(18)
O101 Cu1 Cu2 O201 . . 6.07(15)
Cu4 Cu1 Cu2 O201 3_666 . -176.25(11)
O11 Cu1 Cu2 Cu3 . . -56.24(14)
O61 Cu1 Cu2 Cu3 3_666 . 103.37(15)
O51 Cu1 Cu2 Cu3 3_666 . 58.10(13)
O21 Cu1 Cu2 Cu3 . . -105.00(14)
O101 Cu1 Cu2 Cu3 . . -177.20(11)
Cu4 Cu1 Cu2 Cu3 3_666 . 0.48(6)
O21 Cu2 Cu3 O81 . 3_666 -113.47(15)
O71 Cu2 Cu3 O81 3_666 3_666 52.73(16)
O31 Cu2 Cu3 O81 . 3_666 -168.00(17)
O61 Cu2 Cu3 O81 3_666 3_666 -1.96(15)
O201 Cu2 Cu3 O81 . 3_666 119.09(16)
Cu1 Cu2 Cu3 O81 . 3_666 -57.39(12)
O21 Cu2 Cu3 O41 . . 1.26(17)
O71 Cu2 Cu3 O41 3_666 . 167.47(17)
O31 Cu2 Cu3 O41 . . -53.26(17)
O61 Cu2 Cu3 O41 3_666 . 112.78(16)
O201 Cu2 Cu3 O41 . . -126.17(17)
Cu1 Cu2 Cu3 O41 . . 57.35(12)
O21 Cu2 Cu3 O31 . . 54.52(16)
O71 Cu2 Cu3 O31 3_666 . -139.27(17)
O61 Cu2 Cu3 O31 3_666 . 166.04(16)
O201 Cu2 Cu3 O31 . . -72.91(17)
Cu1 Cu2 Cu3 O31 . . 110.60(12)
O21 Cu2 Cu3 O71 . 3_666 -166.21(17)
O31 Cu2 Cu3 O71 . 3_666 139.27(17)
O61 Cu2 Cu3 O71 3_666 3_666 -54.69(16)
O201 Cu2 Cu3 O71 . 3_666 66.36(17)
Cu1 Cu2 Cu3 O71 . 3_666 -110.13(13)
O21 Cu2 Cu3 O301 . . 124.60(16)
O71 Cu2 Cu3 O301 3_666 . -69.20(17)
O31 Cu2 Cu3 O301 . . 70.08(16)
O61 Cu2 Cu3 O301 3_666 . -123.88(16)
O201 Cu2 Cu3 O301 . . -2.83(17)
Cu1 Cu2 Cu3 O301 . . -179.32(12)
O21 Cu2 Cu3 Cu4 . . -56.19(12)
O71 Cu2 Cu3 Cu4 3_666 . 110.02(13)
O31 Cu2 Cu3 Cu4 . . -110.71(12)
O61 Cu2 Cu3 Cu4 3_666 . 55.33(11)
O201 Cu2 Cu3 Cu4 . . 176.38(12)
Cu1 Cu2 Cu3 Cu4 . . -0.11(5)
O81 Cu3 Cu4 O11 3_666 3_666 52.96(17)
O41 Cu3 Cu4 O11 . 3_666 -165.82(18)
O31 Cu3 Cu4 O11 . 3_666 -113.63(16)
O71 Cu3 Cu4 O11 3_666 3_666 1.97(17)
O301 Cu3 Cu4 O11 . 3_666 123.45(18)
Cu2 Cu3 Cu4 O11 . 3_666 -55.67(12)
O81 Cu3 Cu4 O51 3_666 . 165.05(17)
O41 Cu3 Cu4 O51 . . -53.73(17)
O31 Cu3 Cu4 O51 . . -1.54(16)
O71 Cu3 Cu4 O51 3_666 . 114.06(16)
O301 Cu3 Cu4 O51 . . -124.46(17)
Cu2 Cu3 Cu4 O51 . . 56.42(12)
O81 Cu3 Cu4 O41 3_666 . -141.22(18)
O31 Cu3 Cu4 O41 . . 52.18(17)
O71 Cu3 Cu4 O41 3_666 . 167.79(18)
O301 Cu3 Cu4 O41 . . -70.73(19)
Cu2 Cu3 Cu4 O41 . . 110.14(14)
O41 Cu3 Cu4 O81 . 3_666 141.22(18)
O31 Cu3 Cu4 O81 . 3_666 -166.59(17)
O71 Cu3 Cu4 O81 3_666 3_666 -50.99(17)
O301 Cu3 Cu4 O81 . 3_666 70.49(18)
Cu2 Cu3 Cu4 O81 . 3_666 -108.63(13)
O81 Cu3 Cu4 O401 3_666 . -68.41(17)
O41 Cu3 Cu4 O401 . . 72.81(17)
O31 Cu3 Cu4 O401 . . 125.00(16)
O71 Cu3 Cu4 O401 3_666 . -119.40(16)
O301 Cu3 Cu4 O401 . . 2.08(17)
Cu2 Cu3 Cu4 O401 . . -177.04(11)
O81 Cu3 Cu4 Cu1 3_666 3_666 108.34(13)
O41 Cu3 Cu4 Cu1 . 3_666 -110.43(14)
O31 Cu3 Cu4 Cu1 . 3_666 -58.25(12)
O71 Cu3 Cu4 Cu1 3_666 3_666 57.36(12)
O301 Cu3 Cu4 Cu1 . 3_666 178.83(13)
Cu2 Cu3 Cu4 Cu1 . 3_666 -0.29(6)
O11 Si1 O1 Si2 . . -33.6(4)
O8 Si1 O1 Si2 . . -151.8(3)
C1 Si1 O1 Si2 . . 88.6(4)
O1 Si1 O11 Cu4 . 3_666 -149.0(2)
O8 Si1 O11 Cu4 . 3_666 -30.7(3)
C1 Si1 O11 Cu4 . 3_666 89.0(3)
O1 Si1 O11 Cu1 . . 26.7(3)
O8 Si1 O11 Cu1 . . 145.0(2)
C1 Si1 O11 Cu1 . . -95.2(3)
O61 Cu1 O11 Si1 3_666 . -108.0(5)
O51 Cu1 O11 Si1 3_666 . 172.9(3)
O21 Cu1 O11 Si1 . . -21.2(3)
O101 Cu1 O11 Si1 . . 75.8(3)
Cu2 Cu1 O11 Si1 . . -51.7(3)
Cu4 Cu1 O11 Si1 3_666 . -176.8(4)
O61 Cu1 O11 Cu4 3_666 3_666 68.8(5)
O51 Cu1 O11 Cu4 3_666 3_666 -10.30(14)
O21 Cu1 O11 Cu4 . 3_666 155.55(14)
O101 Cu1 O11 Cu4 . 3_666 -107.43(14)
Cu2 Cu1 O11 Cu4 . 3_666 125.07(9)
Si1 O1 Si2 O21 . . 33.1(4)
Si1 O1 Si2 O2 . . 152.0(3)
Si1 O1 Si2 C2 . . -89.5(4)
O21 Si2 O2 Si3 . . -14.1(4)
O1 Si2 O2 Si3 . . -132.9(3)
C2 Si2 O2 Si3 . . 108.4(4)
O2 Si2 O21 Cu2 . . 16.3(3)
O1 Si2 O21 Cu2 . . 134.1(2)
C2 Si2 O21 Cu2 . . -104.6(3)
O2 Si2 O21 Cu1 . . -143.1(2)
O1 Si2 O21 Cu1 . . -25.4(3)
C2 Si2 O21 Cu1 . . 96.0(3)
O71 Cu2 O21 Si2 3_666 . -102.6(6)
O31 Cu2 O21 Si2 . . -16.2(3)
O61 Cu2 O21 Si2 3_666 . 177.0(3)
O201 Cu2 O21 Si2 . . 84.2(3)
Cu3 Cu2 O21 Si2 . . -51.2(3)
Cu1 Cu2 O21 Si2 . . -164.2(3)
O71 Cu2 O21 Cu1 3_666 . 61.6(6)
O31 Cu2 O21 Cu1 . . 147.99(13)
O61 Cu2 O21 Cu1 3_666 . -18.79(13)
O201 Cu2 O21 Cu1 . . -111.55(14)
Cu3 Cu2 O21 Cu1 . . 113.03(10)
O11 Cu1 O21 Si2 . . 20.4(3)
O61 Cu1 O21 Si2 3_666 . -176.2(3)
O51 Cu1 O21 Si2 3_666 . 100.3(5)
O101 Cu1 O21 Si2 . . -76.8(3)
Cu2 Cu1 O21 Si2 . . 164.9(3)
Cu4 Cu1 O21 Si2 3_666 . 42.0(3)
O11 Cu1 O21 Cu2 . . -144.44(14)
O61 Cu1 O21 Cu2 3_666 . 18.95(14)
O51 Cu1 O21 Cu2 3_666 . -64.5(5)
O101 Cu1 O21 Cu2 . . 118.32(14)
Cu4 Cu1 O21 Cu2 3_666 . -122.81(9)
Si2 O2 Si3 O31 . . 13.4(4)
Si2 O2 Si3 O3 . . 134.3(3)
Si2 O2 Si3 C3 . . -109.0(3)
O31 Si3 O3 Si4 . . -6.9(4)
O2 Si3 O3 Si4 . . -128.1(3)
C3 Si3 O3 Si4 . . 115.2(3)
O3 Si3 O31 Cu2 . . -133.6(2)
O2 Si3 O31 Cu2 . . -14.4(3)
C3 Si3 O31 Cu2 . . 106.2(3)
O3 Si3 O31 Cu3 . . 12.0(3)
O2 Si3 O31 Cu3 . . 131.2(2)
C3 Si3 O31 Cu3 . . -108.2(3)
O21 Cu2 O31 Si3 . . 14.9(3)
O71 Cu2 O31 Si3 3_666 . -177.5(3)
O61 Cu2 O31 Si3 3_666 . 98.0(6)
O201 Cu2 O31 Si3 . . -83.2(2)
Cu3 Cu2 O31 Si3 . . 155.0(3)
Cu1 Cu2 O31 Si3 . . 43.2(3)
O21 Cu2 O31 Cu3 . . -140.10(12)
O71 Cu2 O31 Cu3 3_666 . 27.47(12)
O61 Cu2 O31 Cu3 3_666 . -57.1(6)
O201 Cu2 O31 Cu3 . . 121.75(13)
Cu1 Cu2 O31 Cu3 . . -111.80(10)
O81 Cu3 O31 Si3 3_666 . -100.4(7)
O41 Cu3 O31 Si3 . . -13.3(2)
O71 Cu3 O31 Si3 3_666 . 178.0(2)
O301 Cu3 O31 Si3 . . 87.8(2)
Cu2 Cu3 O31 Si3 . . -154.7(3)
Cu4 Cu3 O31 Si3 . . -46.8(3)
O81 Cu3 O31 Cu2 3_666 . 54.4(7)
O41 Cu3 O31 Cu2 . . 141.43(11)
O71 Cu3 O31 Cu2 3_666 . -27.27(11)
O301 Cu3 O31 Cu2 . . -117.48(13)
Cu4 Cu3 O31 Cu2 . . 107.94(10)
Si3 O3 Si4 O41 . . 5.6(4)
Si3 O3 Si4 O4 . . 125.6(3)
Si3 O3 Si4 C4 . . -117.2(3)
O3 Si4 O4 Si5 . . -149.9(3)
O41 Si4 O4 Si5 . . -29.2(4)
C4 Si4 O4 Si5 . . 93.3(4)
O3 Si4 O41 Cu3 . . -8.8(3)
O4 Si4 O41 Cu3 . . -127.2(2)
C4 Si4 O41 Cu3 . . 112.0(3)
O3 Si4 O41 Cu4 . . 135.8(2)
O4 Si4 O41 Cu4 . . 17.4(3)
C4 Si4 O41 Cu4 . . -103.4(3)
O81 Cu3 O41 Si4 3_666 . 179.8(2)
O31 Cu3 O41 Si4 . . 11.4(2)
O71 Cu3 O41 Si4 3_666 . 96.5(8)
O301 Cu3 O41 Si4 . . -81.0(2)
Cu2 Cu3 O41 Si4 . . 45.6(3)
Cu4 Cu3 O41 Si4 . . 153.7(3)
O81 Cu3 O41 Cu4 3_666 . 26.08(12)
O31 Cu3 O41 Cu4 . . -142.26(12)
O71 Cu3 O41 Cu4 3_666 . -57.2(8)
O301 Cu3 O41 Cu4 . . 125.37(14)
Cu2 Cu3 O41 Cu4 . . -108.03(12)
O11 Cu4 O41 Si4 3_666 . -97.3(6)
O51 Cu4 O41 Si4 . . -13.0(3)
O81 Cu4 O41 Si4 3_666 . -179.8(3)
O401 Cu4 O41 Si4 . . 88.1(3)
Cu3 Cu4 O41 Si4 . . -154.1(3)
Cu1 Cu4 O41 Si4 3_666 . -34.7(3)
O11 Cu4 O41 Cu3 3_666 . 56.7(6)
O51 Cu4 O41 Cu3 . . 141.04(13)
O81 Cu4 O41 Cu3 3_666 . -25.76(13)
O401 Cu4 O41 Cu3 . . -117.83(13)
Cu1 Cu4 O41 Cu3 3_666 . 119.34(10)
Si4 O4 Si5 O51 . . 33.3(3)
Si4 O4 Si5 O5 . . 151.7(3)
Si4 O4 Si5 C5 . . -88.7(3)
O51 Si5 O5 Si6 . . -35.4(3)
O4 Si5 O5 Si6 . . -154.1(3)
C5 Si5 O5 Si6 . . 87.0(3)
O4 Si5 O51 Cu4 . . -26.7(3)
O5 Si5 O51 Cu4 . . -144.8(2)
C5 Si5 O51 Cu4 . . 93.8(3)
O4 Si5 O51 Cu1 . 3_666 146.3(2)
O5 Si5 O51 Cu1 . 3_666 28.2(3)
C5 Si5 O51 Cu1 . 3_666 -93.2(3)
O11 Cu4 O51 Si5 3_666 . -175.0(3)
O41 Cu4 O51 Si5 . . 18.4(3)
O81 Cu4 O51 Si5 3_666 . 103.9(6)
O401 Cu4 O51 Si5 . . -78.7(3)
Cu3 Cu4 O51 Si5 . . 52.5(3)
Cu1 Cu4 O51 Si5 3_666 . 174.6(4)
O11 Cu4 O51 Cu1 3_666 3_666 10.32(14)
O41 Cu4 O51 Cu1 . 3_666 -156.25(14)
O81 Cu4 O51 Cu1 3_666 3_666 -70.7(7)
O401 Cu4 O51 Cu1 . 3_666 106.69(15)
Cu3 Cu4 O51 Cu1 . 3_666 -122.09(10)
Si5 O5 Si6 O61 . . 34.4(3)
Si5 O5 Si6 O6 . . 153.3(3)
Si5 O5 Si6 C6 . . -88.9(3)
O61 Si6 O6 Si7 . . -19.7(4)
O5 Si6 O6 Si7 . . -139.0(3)
C6 Si6 O6 Si7 . . 103.7(3)
O5 Si6 O61 Cu1 . 3_666 -25.6(3)
O6 Si6 O61 Cu1 . 3_666 -143.4(2)
C6 Si6 O61 Cu1 . 3_666 95.3(3)
O5 Si6 O61 Cu2 . 3_666 136.2(2)
O6 Si6 O61 Cu2 . 3_666 18.4(3)
C6 Si6 O61 Cu2 . 3_666 -102.9(3)
Si6 O6 Si7 O71 . . 20.6(4)
Si6 O6 Si7 O7 . . 140.7(3)
Si6 O6 Si7 C7 . . -101.1(3)
O71 Si7 O7 Si8 . . 5.4(3)
O6 Si7 O7 Si8 . . -115.1(3)
C7 Si7 O7 Si8 . . 128.0(3)
O7 Si7 O71 Cu2 . 3_666 -139.2(2)
O6 Si7 O71 Cu2 . 3_666 -20.2(3)
C7 Si7 O71 Cu2 . 3_666 99.4(3)
O7 Si7 O71 Cu3 . 3_666 9.6(3)
O6 Si7 O71 Cu3 . 3_666 128.7(2)
C7 Si7 O71 Cu3 . 3_666 -111.8(3)
Si7 O7 Si8 O81 . . -7.7(3)
Si7 O7 Si8 O8 . . 112.8(3)
Si7 O7 Si8 C8 . . -129.6(3)
O81 Si8 O8 Si1 . . -37.9(3)
O7 Si8 O8 Si1 . . -158.3(3)
C8 Si8 O8 Si1 . . 83.9(3)
O11 Si1 O8 Si8 . . 40.6(3)
O1 Si1 O8 Si8 . . 159.0(3)
C1 Si1 O8 Si8 . . -80.4(3)
O8 Si8 O81 Cu3 . 3_666 -123.8(2)
O7 Si8 O81 Cu3 . 3_666 -4.5(3)
C8 Si8 O81 Cu3 . 3_666 115.9(3)
O8 Si8 O81 Cu4 . 3_666 23.8(3)
O7 Si8 O81 Cu4 . 3_666 143.1(2)
C8 Si8 O81 Cu4 . 3_666 -96.5(3)
O11 Cu1 O101 C101 . . 50.6(4)
O61 Cu1 O101 C101 3_666 . -128.3(3)
O51 Cu1 O101 C101 3_666 . -29.8(3)
O21 Cu1 O101 C101 . . 149.5(3)
Cu2 Cu1 O101 C101 . . -170.7(3)
Cu4 Cu1 O101 C101 3_666 . 10.8(3)
Cu1 O101 C101 N101 . . 173.6(4)
O101 C101 N101 C102 . . -1.4(9)
O101 C101 N101 C103 . . -173.0(5)
O21 Cu2 O201 C201 . . 41.7(4)
O71 Cu2 O201 C201 3_666 . -136.8(4)
O31 Cu2 O201 C201 . . 140.6(4)
O61 Cu2 O201 C201 3_666 . -39.7(4)
Cu3 Cu2 O201 C201 . . -176.9(3)
Cu1 Cu2 O201 C201 . . 0.3(4)
Cu2 O201 C201 N201 . . 155.5(5)
O201 C201 N201 C203 . . -179.1(6)
O201 C201 N201 C202 . . -4.4(9)
O81 Cu3 O301 C301 3_666 . -141.2(4)
O41 Cu3 O301 C301 . . 135.3(4)
O31 Cu3 O301 C301 . . 37.1(4)
O71 Cu3 O301 C301 3_666 . -44.2(4)
Cu2 Cu3 O301 C301 . . -3.7(4)
Cu4 Cu3 O301 C301 . . 177.0(4)
Cu3 O301 C301 N301 . . -159.4(5)
O301 C301 N301 C303 . . 178.1(7)
O301 C301 N301 C302 . . 2.7(11)
O11 Cu4 O401 C401 3_666 . -134.2(4)
O51 Cu4 O401 C401 . . 144.1(4)
O41 Cu4 O401 C401 . . 44.5(4)
O81 Cu4 O401 C401 3_666 . -36.5(4)
Cu3 Cu4 O401 C401 . . 3.2(4)
Cu1 Cu4 O401 C401 3_666 . -174.6(4)
Cu4 O401 C401 N401 . . 158.2(5)
O401 C401 N401 C403 . . -176.3(6)
O401 C401 N401 C402 . . -1.5(9)
C93 N91 C92 C93 3_666 . 0.8(9)
N91 C92 C93 N91 . 3_666 -0.9(10)
O1L C1L N1L C2L . 3_567 -171(2)
O1L C1L N1L C2L . . 9(2)
