#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/99/7219972.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_7219972
loop_
_publ_author_name
'Amayuelas, Eder'
'Fidalgo-Marijuan, Arkaitz'
'Barandika, Gotzone'
'Bazán, Begoña'
'Urtiaga, Miren-Karmele'
'Arriortua, María Isabel'
_publ_section_title
;
 Mother structures related to the hexagonal and cubic close packing in
 Cu24clusters: solvent-influenced derivatives
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              3297
_journal_paper_doi               10.1039/C5CE00251F
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety
'C238.78 H96 Cu24 N15.6 O119.5, 14.2(O), 8(C3 N O), 2(C3 N O0.5), 2(C2.4 N O),8(C3 H7 N O), 20(H2 O), 274(H)'
_chemical_formula_sum            'C297.58 H466 Cu24 N35.6 O172.7'
_chemical_formula_weight         8830.49
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2015-03-17T11:19:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-03-17 deposited with the CCDC.
2015-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                118.4360(10)
_cell_angle_beta                 111.9690(10)
_cell_angle_gamma                94.2290(10)
_cell_formula_units_Z            1
_cell_length_a                   24.4797(3)
_cell_length_b                   24.5938(3)
_cell_length_c                   25.2374(3)
_cell_measurement_reflns_used    67521
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.2562
_cell_measurement_theta_min      2.465
_cell_measurement_wavelength     1.54184
_cell_volume                     11784.9(3)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
        (compiled May 16 2011,17:55:39)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
        (compiled May 16 2011,17:55:39)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
        (compiled May 16 2011,17:55:39)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXH-1997 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 5.2012
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0598149
_diffrn_orient_matrix_UB_12      0.0039189
_diffrn_orient_matrix_UB_13      -0.006996
_diffrn_orient_matrix_UB_21      0.0353566
_diffrn_orient_matrix_UB_22      0.0603221
_diffrn_orient_matrix_UB_23      0.073352
_diffrn_orient_matrix_UB_31      0.0162075
_diffrn_orient_matrix_UB_32      -0.0442195
_diffrn_orient_matrix_UB_33      0.0270339
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_unetI/netI     0.1172
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            155317
_diffrn_reflns_theta_full        69
_diffrn_reflns_theta_max         69
_diffrn_reflns_theta_min         2.47
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.737
_exptl_absorpt_correction_T_max  0.878
_exptl_absorpt_correction_T_min  0.703
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
        (compiled May 16 2011,17:55:39)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.072
_exptl_crystal_density_meas      1.346(5)
_exptl_crystal_density_method    Flotation
_exptl_crystal_description       prism
_exptl_crystal_F_000             3784
_exptl_crystal_size_max          0.2659
_exptl_crystal_size_mid          0.2085
_exptl_crystal_size_min          0.0827
_platon_squeeze_details
;
;
_refine_diff_density_max         2.095
_refine_diff_density_min         -1.899
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2154
_refine_ls_number_reflns         41318
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0859
_refine_ls_shift/su_max          0.118
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1929P)²+10.3643P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2564
_refine_ls_wR_factor_ref         0.2744
_reflns_number_gt                33108
_reflns_number_total             41318
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00251f2.cif
_cod_data_source_block           ea464
_cod_depositor_comments          'Adding full bibliography for 7219972.cif.'
_cod_original_cell_volume        11784.9(2)
_cod_original_formula_sum        'C297.58 H466 Cu24 N35.60 O172.70'
_cod_database_code               7219972
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4574(2) 0.0455(2) -0.1777(2) 0.0374(9) Uani 1 d A .
C2 C 0.3895(2) 0.0135(2) -0.2231(3) 0.0435(11) Uani 1 d . .
C3 C 0.3637(3) -0.0528(3) -0.2510(4) 0.0705(19) Uani 1 d . .
H3 H 0.3888 -0.0768 -0.2392 0.085 Uiso 1 calc . .
C4 C 0.3002(3) -0.0828(4) -0.2967(6) 0.098(3) Uani 1 d . .
H4 H 0.2826 -0.1281 -0.3178 0.117 Uiso 1 calc . .
C5 C 0.2629(3) -0.0468(3) -0.3114(5) 0.075(2) Uani 1 d . .
H5 H 0.2198 -0.0674 -0.3415 0.09 Uiso 1 calc . .
C6 C 0.2885(2) 0.0190(2) -0.2821(3) 0.0471(11) Uani 1 d . .
C7 C 0.3516(2) 0.0494(2) -0.2377(3) 0.0398(10) Uani 1 d . .
H7 H 0.3689 0.0946 -0.2173 0.048 Uiso 1 calc . .
C8 C 0.2486(2) 0.0571(2) -0.3011(3) 0.0447(11) Uani 1 d . .
C9 C 0.6855(3) 0.1573(2) -0.0144(2) 0.0458(11) Uani 1 d A .
C10 C 0.7505(3) 0.1908(3) 0.0424(3) 0.0564(14) Uani 1 d . .
C11 C 0.7873(4) 0.1548(4) 0.0589(5) 0.098(3) Uani 1 d . .
H11 H 0.7724 0.1087 0.0324 0.118 Uiso 1 calc . .
C12 C 0.8461(4) 0.1878(4) 0.1150(6) 0.130(5) Uani 1 d . .
H12 H 0.8718 0.164 0.1263 0.156 Uiso 1 calc . .
C13 C 0.8672(4) 0.2552(4) 0.1543(5) 0.101(3) Uani 1 d . .
H13 H 0.9074 0.2771 0.1924 0.121 Uiso 1 calc . .
C14 C 0.8308(3) 0.2906(3) 0.1389(3) 0.0637(17) Uani 1 d . .
C15 C 0.7725(3) 0.2587(3) 0.0833(3) 0.0497(12) Uani 1 d . .
H15 H 0.7471 0.2831 0.0727 0.06 Uiso 1 calc . .
C16 C 0.8528(3) 0.3635(3) 0.1826(3) 0.0555(14) Uani 1 d S .
C17 C 0.4154(2) 0.9155(2) 0.1993(2) 0.0323(9) Uani 1 d . .
C18 C 0.4176(2) 0.9302(2) 0.2653(2) 0.0328(9) Uani 1 d . .
C19 C 0.4095(2) 0.9882(2) 0.3070(2) 0.0361(9) Uani 1 d . .
H19 H 0.3998 1.0169 0.2924 0.043 Uiso 1 calc . .
C20 C 0.4158(3) 1.0037(2) 0.3700(3) 0.0450(12) Uani 1 d . .
H20 H 0.4105 1.0432 0.3985 0.054 Uiso 1 calc . .
C21 C 0.4298(2) 0.9619(2) 0.3912(2) 0.0395(10) Uani 1 d . .
H21 H 0.4342 0.9728 0.4344 0.047 Uiso 1 calc . .
C22 C 0.4376(2) 0.9035(2) 0.3493(2) 0.0347(9) Uani 1 d . .
C23 C 0.4305(2) 0.88799(19) 0.2860(2) 0.0326(9) Uani 1 d . .
H23 H 0.4346 0.8479 0.2568 0.039 Uiso 1 calc . .
C24 C 0.4539(2) 0.8578(2) 0.3712(2) 0.0354(9) Uani 1 d . .
C25 C 0.5557(3) 0.1208(2) 0.0007(2) 0.0435(12) Uani 1 d A .
C26 C 0.5464(3) 0.1304(2) 0.0597(2) 0.0406(11) Uani 1 d . .
C27 C 0.5450(3) 0.0818(2) 0.0722(3) 0.0543(14) Uani 1 d . .
H27 H 0.5489 0.0418 0.0426 0.065 Uiso 1 calc . .
C28 C 0.5382(3) 0.0903(3) 0.1268(3) 0.0581(15) Uani 1 d . .
H28 H 0.5362 0.0559 0.1342 0.07 Uiso 1 calc . .
C29 C 0.5342(3) 0.1493(2) 0.1711(3) 0.0491(13) Uani 1 d . .
H29 H 0.5303 0.1556 0.2096 0.059 Uiso 1 calc . .
C30 C 0.5357(2) 0.1992(2) 0.1598(2) 0.0390(10) Uani 1 d . .
C31 C 0.5406(2) 0.1892(2) 0.1028(2) 0.0367(9) Uani 1 d . .
H31 H 0.5399 0.2223 0.0934 0.044 Uiso 1 calc . .
C32 C 0.5332(2) 0.2632(2) 0.2089(2) 0.0367(10) Uani 1 d D .
C33 C 0.8820(2) 0.8199(2) 0.3755(2) 0.0424(11) Uani 1 d U .
C34 C 0.9209(2) 0.7826(2) 0.3977(3) 0.0467(11) Uani 1 d . .
C35 C 0.9779(3) 0.8145(3) 0.4558(3) 0.0596(15) Uani 1 d . .
H35 H 0.9923 0.8607 0.4831 0.072 Uiso 1 calc . .
C36 C 1.0134(3) 0.7803(3) 0.4740(4) 0.0704(18) Uani 1 d . .
H36 H 1.0519 0.8026 0.5145 0.084 Uiso 1 calc . .
C37 C 0.9934(3) 0.7126(3) 0.4333(4) 0.0652(16) Uani 1 d . .
H37 H 1.0188 0.6887 0.4451 0.078 Uiso 1 calc . .
C38 C 0.9362(2) 0.6802(2) 0.3754(3) 0.0476(11) Uani 1 d . .
C39 C 0.8998(2) 0.7144(2) 0.3572(3) 0.0456(11) Uani 1 d . .
H39 H 0.8607 0.6921 0.3175 0.055 Uiso 1 calc . .
C40 C 0.9150(2) 0.6067(2) 0.3303(3) 0.0479(12) Uani 1 d S .
C41 C 0.7729(2) 0.8999(2) 0.4178(3) 0.0452(11) Uani 1 d U .
C42 C 0.7451(2) 0.9121(2) 0.4655(3) 0.0492(12) Uani 1 d . .
C43 C 0.7766(3) 0.9651(3) 0.5329(3) 0.073(2) Uani 1 d . .
H43 H 0.8159 0.9929 0.5492 0.088 Uiso 1 calc . .
C44 C 0.7506(4) 0.9771(4) 0.5760(4) 0.085(2) Uani 1 d . .
H44 H 0.7723 1.0127 0.6221 0.102 Uiso 1 calc . .
C45 C 0.6925(3) 0.9369(3) 0.5512(3) 0.0718(19) Uani 1 d . .
H45 H 0.6747 0.9451 0.5808 0.086 Uiso 1 calc . .
C46 C 0.6602(3) 0.8847(3) 0.4839(3) 0.0485(12) Uani 1 d . .
C47 C 0.6874(2) 0.8714(2) 0.4413(3) 0.0444(11) Uani 1 d . .
H47 H 0.6665 0.8346 0.3958 0.053 Uiso 1 calc . .
C48 C 0.5965(2) 0.8432(2) 0.4563(2) 0.0420(11) Uani 1 d . .
C49 C 0.1356(2) 0.1317(2) -0.2608(3) 0.0429(11) Uani 1 d . .
C50 C 0.1083(2) 0.1426(2) -0.2135(3) 0.0478(11) Uani 1 d . .
C51 C 0.0602(3) 0.0938(3) -0.2306(3) 0.0680(17) Uani 1 d . .
H51 H 0.0454 0.0525 -0.2718 0.082 Uiso 1 calc . .
C52 C 0.0338(4) 0.1043(4) -0.1887(4) 0.090(3) Uani 1 d . .
H52 H 0.0016 0.0702 -0.2003 0.108 Uiso 1 calc . .
C53 C 0.0548(3) 0.1667(3) -0.1276(3) 0.0695(18) Uani 1 d . .
H53 H 0.0361 0.175 -0.0987 0.083 Uiso 1 calc . .
C54 C 0.1029(2) 0.2150(3) -0.1110(3) 0.0490(12) Uani 1 d . .
C55 C 0.1308(2) 0.2028(2) -0.1532(3) 0.0446(11) Uani 1 d . .
H55 H 0.1648 0.2356 -0.1406 0.053 Uiso 1 calc . .
C56 C 0.1245(2) 0.2818(3) -0.0482(2) 0.0453(11) Uani 1 d . .
C57 C 0.8394(2) 0.4704(3) 0.3257(3) 0.0595(15) Uani 1 d S .
C58 C 0.8125(3) 0.4585(3) 0.3647(3) 0.0605(15) Uani 1 d . .
C59 C 0.8492(3) 0.4608(5) 0.4232(4) 0.084(2) Uani 1 d . .
H59 H 0.8928 0.4722 0.4399 0.101 Uiso 1 calc . .
C60 C 0.8241(4) 0.4471(6) 0.4581(5) 0.098(3) Uani 1 d . .
H60 H 0.8501 0.4487 0.4981 0.117 Uiso 1 calc . .
C61 C 0.7602(3) 0.4310(5) 0.4336(4) 0.080(2) Uani 1 d . .
H61 H 0.7422 0.4214 0.4568 0.096 Uiso 1 calc . .
C62 C 0.7227(3) 0.4289(3) 0.3750(3) 0.0545(13) Uani 1 d . .
C63 C 0.7487(3) 0.4436(3) 0.3412(3) 0.0517(12) Uani 1 d . .
H63 H 0.723 0.4434 0.302 0.062 Uiso 1 calc . .
C64 C 0.6534(2) 0.4084(3) 0.3466(3) 0.0455(11) Uani 1 d D .
C65 C 0.9209(2) 0.4998(3) 0.1816(3) 0.0473(12) Uani 1 d S .
C66 C 0.9458(2) 0.5135(2) 0.1412(2) 0.0475(12) Uani 1 d . .
C67 C 1.0050(3) 0.5119(3) 0.1505(3) 0.0582(15) Uani 1 d . .
H67 H 1.0289 0.4999 0.1802 0.07 Uiso 1 calc . .
C68 C 1.0296(3) 0.5279(4) 0.1163(3) 0.072(2) Uani 1 d . .
H68 H 1.07 0.5262 0.122 0.087 Uiso 1 calc . .
C69 C 0.9944(3) 0.5464(4) 0.0734(3) 0.0606(16) Uani 1 d . .
H69 H 1.0114 0.5592 0.0513 0.073 Uiso 1 calc . .
C70 C 0.9341(2) 0.5463(3) 0.0628(2) 0.0471(12) Uani 1 d . .
C71 C 0.9101(2) 0.5294(2) 0.0968(3) 0.0443(11) Uani 1 d . .
H71 H 0.869 0.5287 0.0894 0.053 Uiso 1 calc . .
C72 C 0.8977(2) 0.5674(3) 0.0176(2) 0.0432(11) Uani 1 d . .
C73 C 0.5414(2) 0.4822(2) 0.3868(2) 0.0384(10) Uani 1 d D .
C74 C 0.5401(2) 0.5485(2) 0.4357(2) 0.0353(9) Uani 1 d . .
C75 C 0.5448(2) 0.5636(2) 0.4981(2) 0.0379(9) Uani 1 d . .
H75 H 0.5505 0.5332 0.5112 0.045 Uiso 1 calc . .
C76 C 0.5409(2) 0.6235(2) 0.5413(2) 0.0398(10) Uani 1 d . .
H76 H 0.544 0.6339 0.584 0.048 Uiso 1 calc . .
C77 C 0.5325(2) 0.6676(2) 0.5226(2) 0.0353(9) Uani 1 d . .
H77 H 0.5309 0.7088 0.5527 0.042 Uiso 1 calc . .
C78 C 0.52647(19) 0.6519(2) 0.4594(2) 0.0311(8) Uani 1 d . .
C79 C 0.5321(2) 0.5927(2) 0.4166(2) 0.0325(9) Uani 1 d . .
H79 H 0.5305 0.5829 0.3747 0.039 Uiso 1 calc . .
C80 C 0.51381(19) 0.69890(18) 0.4375(2) 0.0294(8) Uani 1 d . .
C81 C 0.4229(2) 0.3392(2) 0.2600(2) 0.0416(11) Uani 1 d D .
C82 C 0.3551(2) 0.3270(3) 0.2390(3) 0.0481(11) Uani 1 d . .
C83 C 0.3279(3) 0.3007(4) 0.2654(4) 0.0676(16) Uani 1 d . .
H83 H 0.3517 0.2877 0.2942 0.081 Uiso 1 calc . .
C84 C 0.2654(4) 0.2941(5) 0.2486(5) 0.091(3) Uani 1 d . .
H84 H 0.2469 0.2779 0.2674 0.109 Uiso 1 calc . .
C85 C 0.2307(3) 0.3108(4) 0.2051(4) 0.078(2) Uani 1 d . .
H85 H 0.188 0.305 0.1932 0.094 Uiso 1 calc . .
C86 C 0.2563(3) 0.3358(3) 0.1785(3) 0.0565(13) Uani 1 d . .
C87 C 0.3190(2) 0.3447(3) 0.1964(2) 0.0466(11) Uani 1 d . .
H87 H 0.3372 0.3631 0.179 0.056 Uiso 1 calc . .
C88 C 0.2193(3) 0.3566(3) 0.1327(3) 0.0527(13) Uani 1 d . .
C89 C 0.1987(2) 0.5068(3) 0.1627(2) 0.0419(11) Uani 1 d . .
C90 C 0.2231(2) 0.5737(3) 0.2260(2) 0.0413(10) Uani 1 d . .
C91 C 0.1874(2) 0.5956(3) 0.2589(3) 0.0544(14) Uani 1 d . .
H91 H 0.1473 0.5685 0.2414 0.065 Uiso 1 calc . .
C92 C 0.2108(2) 0.6576(3) 0.3177(3) 0.0593(15) Uani 1 d . .
H92 H 0.1856 0.6735 0.3389 0.071 Uiso 1 calc . .
C93 C 0.2701(2) 0.6962(3) 0.3455(2) 0.0484(12) Uani 1 d . .
H93 H 0.286 0.7381 0.3863 0.058 Uiso 1 calc . .
C94 C 0.3070(2) 0.6735(2) 0.3133(2) 0.0364(9) Uani 1 d . .
C95 C 0.2822(2) 0.6124(2) 0.2530(2) 0.0384(10) Uani 1 d . .
H95 H 0.3063 0.5971 0.2301 0.046 Uiso 1 calc . .
C96 C 0.3723(2) 0.7129(2) 0.3444(2) 0.0346(9) Uani 1 d . .
Cu1 Cu 0.86286(3) 0.93644(3) 0.38630(3) 0.03937(17) Uani 1 d . .
Cu2 Cu 0.77208(3) 0.82753(3) 0.29008(3) 0.03612(16) Uani 1 d . .
Cu3 Cu 0.48325(3) 0.81649(3) 0.46025(3) 0.03322(16) Uani 1 d . .
Cu4 Cu 0.48660(3) 0.73892(3) 0.34583(3) 0.03214(15) Uani 1 d . .
Cu5 Cu 0.11265(3) 0.37996(4) 0.06460(3) 0.04239(18) Uani 1 d . .
Cu6 Cu 0.20963(3) 0.40909(3) 0.04999(3) 0.03743(17) Uani 1 d . .
Cu7 Cu 0.54399(3) 0.35410(3) 0.34253(3) 0.03583(16) Uani 1 d D .
Cu8 Cu 0.53151(3) 0.39094(3) 0.25716(3) 0.03519(16) Uani 1 d . .
Cu9 Cu 0.93738(3) 0.48505(4) 0.29244(4) 0.04749(19) Uani 1 d . .
Cu10 Cu 0.82768(3) 0.48521(3) 0.21703(4) 0.04410(18) Uani 1 d S .
Cu11 Cu 0.58022(3) 0.04578(3) -0.11101(3) 0.03354(16) Uani 1 d . .
Cu12 Cu 0.56519(3) 0.15946(3) -0.08519(3) 0.03234(15) Uani 1 d . .
O1 O 0.49070(15) 0.01009(15) -0.17149(16) 0.0372(7) Uani 1 d . .
O2 O 0.47740(17) 0.10731(16) -0.14725(18) 0.0442(8) Uani 1 d A .
O3 O 0.66638(19) 0.09599(16) -0.04632(19) 0.0532(9) Uani 1 d . .
O4 O 0.65503(17) 0.19242(15) -0.02555(17) 0.0447(8) Uani 1 d A .
O5 O 0.40780(16) 0.95781(15) 0.18552(16) 0.0387(7) Uani 1 d . .
O6 O 0.42320(16) 0.86232(14) 0.16452(15) 0.0383(7) Uani 1 d . .
O7 O 0.5635(2) 0.06753(15) -0.03396(17) 0.0519(9) Uani 1 d . .
O8 O 0.55413(19) 0.16608(15) -0.00963(17) 0.0468(8) Uani 1 d A .
O9 O 0.19402(17) 0.02536(17) -0.3469(2) 0.0547(9) Uani 1 d . .
O10 O 0.27312(15) 0.11704(16) -0.26852(19) 0.0471(8) Uani 1 d . .
O11 O 0.90526(17) 0.88038(16) 0.40971(19) 0.0516(9) Uani 1 d . .
O12 O 0.82902(17) 0.78736(16) 0.32558(19) 0.0515(9) Uani 1 d U .
O13 O 0.82134(18) 0.94160(18) 0.4407(2) 0.0554(9) Uani 1 d . .
O14 O 0.74570(16) 0.84778(17) 0.36038(18) 0.0502(9) Uani 1 d U .
O15 O 0.10689(17) 0.08221(18) -0.31974(19) 0.0537(9) Uani 1 d . .
O16 O 0.18598(16) 0.17269(16) -0.23655(18) 0.0485(8) Uani 1 d . .
O17 O 0.95313(18) 0.57859(19) 0.3450(2) 0.0550(9) Uani 1 d S .
O18 O 0.85987(18) 0.57993(18) 0.2827(2) 0.0632(11) Uani 1 d . .
O19 O 0.9064(2) 0.3901(2) 0.2316(2) 0.0718(14) Uani 1 d S .
O20 O 0.81576(16) 0.39106(18) 0.1650(2) 0.0542(9) Uani 1 d . .
O21 O 0.89555(18) 0.4765(3) 0.3432(3) 0.0707(13) Uani 1 d S .
O22 O 0.80330(17) 0.4744(2) 0.2776(2) 0.0594(10) Uani 1 d . .
O23 O 0.95737(19) 0.4932(2) 0.2269(2) 0.0575(10) Uani 1 d S .
O24 O 0.86528(17) 0.4966(2) 0.1659(2) 0.0605(10) Uani 1 d . .
O25 O 0.54202(17) 0.27357(16) 0.26571(16) 0.0423(7) Uani 1 d . .
O26 O 0.52323(19) 0.30244(17) 0.19010(16) 0.0471(8) Uani 1 d D .
O27 O 0.54289(19) 0.44184(16) 0.40393(17) 0.0470(8) Uani 1 d . .
O28 O 0.54171(18) 0.47448(16) 0.33429(17) 0.0445(8) Uani 1 d D .
O29 O 0.63213(19) 0.39141(19) 0.37615(19) 0.0511(8) Uani 1 d . .
O30 O 0.62219(17) 0.41115(18) 0.29573(19) 0.0481(8) Uani 1 d D .
O31 O 0.45423(16) 0.32553(16) 0.30200(16) 0.0418(7) Uani 1 d . .
O32 O 0.44367(17) 0.36304(19) 0.23451(18) 0.0481(8) Uani 1 d D .
O33 O 0.16425(18) 0.3525(2) 0.1223(2) 0.0613(10) Uani 1 d . .
O34 O 0.24562(17) 0.3755(2) 0.1074(2) 0.0555(9) Uani 1 d . .
O35 O 0.92429(16) 0.5885(2) -0.00542(19) 0.0536(9) Uani 1 d . .
O36 O 0.84193(16) 0.5619(2) 0.00600(19) 0.0516(9) Uani 1 d . .
O37 O 0.14872(14) 0.46953(19) 0.14425(17) 0.0496(9) Uani 1 d . .
O38 O 0.23141(15) 0.49354(18) 0.13240(17) 0.0483(8) Uani 1 d . .
O39 O 0.09300(18) 0.2934(2) -0.0164(2) 0.0568(10) Uani 1 d . .
O40 O 0.17334(16) 0.32067(18) -0.03096(18) 0.0496(8) Uani 1 d . .
O41 O 0.50357(16) 0.74811(15) 0.47573(15) 0.0395(7) Uani 1 d . .
O42 O 0.51334(16) 0.68473(14) 0.38221(16) 0.0385(7) Uani 1 d . .
O43 O 0.46339(18) 0.87618(15) 0.43141(16) 0.0436(8) Uani 1 d . .
O44 O 0.45828(18) 0.80609(15) 0.33050(16) 0.0433(8) Uani 1 d . .
O45 O 0.57207(17) 0.85838(17) 0.49580(18) 0.0495(8) Uani 1 d . .
O46 O 0.57214(16) 0.79579(16) 0.39607(17) 0.0440(8) Uani 1 d . .
O47 O 0.39516(16) 0.76381(15) 0.40348(15) 0.0382(7) Uani 1 d . .
O48 O 0.40146(16) 0.69175(15) 0.31058(16) 0.0407(7) Uani 1 d . .
O1W O 0.5 0.5 0 0.38(2) Uiso 1 d . .
O2WA O 0.5619(4) 0.2590(4) -0.0444(4) 0.0522(17) Uiso 0.5 d A 1
O2WB O 0.5340(4) 0.2398(4) -0.0863(5) 0.063(2) Uiso 0.5 d . 2
O3WA O 0.3163(14) 0.2616(15) 0.0324(16) 0.249(12) Uiso 0.6 d B 1
O3WB O 0.3743(15) 0.3218(15) 0.0563(16) 0.175(10) Uiso 0.4 d C 2
O4WA O 0.1570(7) 0.7394(8) 0.5138(8) 0.091(4) Uiso 0.38 d D 1
O4WB O 0.1243(5) 0.6777(6) 0.4019(6) 0.050(3) Uiso 0.32 d . 2
O4WC O 0.1569(10) 0.7448(10) 0.4588(11) 0.094(5) Uiso 0.3 d E 3
O5WA O 0.9930(6) 0.6227(6) 0.5525(7) 0.098(3) Uiso 0.5 d F 1
O5WB O 1.0387(8) 0.5737(9) 0.4927(9) 0.063(4) Uiso 0.25 d G 2
O5WC O 0.9995(6) 0.5899(6) 0.4960(7) 0.042(3) Uiso 0.25 d H 3
O6WA O 0.0674(8) 0.3506(9) 0.2274(9) 0.128(5) Uiso 0.5 d I 1
O6WB O 0.0921(13) 0.4181(14) 0.2444(15) 0.199(10) Uiso 0.5 d J 2
O7WA O 0.322(4) 0.729(4) 0.120(5) 0.26(4) Uiso 0.22 d K 1
O7WB O 0.306(4) 0.644(4) 0.020(4) 0.23(3) Uiso 0.22 d L 2
O7WC O 0.3496(19) 0.702(2) 0.138(2) 0.174(13) Uiso 0.33 d M 3
O7WD O 0.3106(10) 0.6502(10) 0.0882(11) 0.070(5) Uiso 0.23 d N 4
O8WA O 0.3709(10) 0.2459(10) -0.1010(11) 0.123(6) Uiso 0.4 d . 1
O8WB O 0.4140(13) 0.1755(13) -0.0478(15) 0.123(8) Uiso 0.3 d O 2
O8WC O 0.3498(10) 0.1658(10) -0.0941(11) 0.092(5) Uiso 0.3 d P 3
O9WA O 1.1214(7) 0.5515(8) 0.3578(8) 0.093(4) Uiso 0.4 d Q 1
O9WB O 1.1236(15) 0.6478(16) 0.4223(17) 0.139(10) Uiso 0.3 d . 2
O9WC O 1.1320(15) 0.5854(16) 0.4182(17) 0.140(10) Uiso 0.3 d R 3
O10W O 1.0265(2) 0.4908(2) 0.3576(2) 0.0639(10) Uiso 1 d S 4
O12W O 0.7400(8) 0.5936(8) 0.0393(9) 0.126(5) Uiso 0.5 d . 1
O13W O 0.5957(7) 0.2957(8) 0.0207(8) 0.115(4) Uiso 0.5 d T 2
N1 N 0.2292(5) 0.8065(5) 0.2978(6) 0.076(3) Uiso 0.6 d . .
O100 O 0.2258(9) 0.7464(9) 0.1966(10) 0.166(6) Uiso 0.6 d . .
C100 C 0.2014(8) 0.7570(8) 0.2328(9) 0.098(4) Uiso 0.6 d . .
C101 C 0.2935(7) 0.8423(7) 0.3298(8) 0.089(4) Uiso 0.6 d . .
C102 C 0.1983(6) 0.8210(7) 0.3389(7) 0.078(3) Uiso 0.6 d . .
N2 N 0.9298(2) 1.0880(2) 0.5646(3) 0.0620(13) Uani 1 d . .
O101 O 0.93589(16) 1.02452(16) 0.46724(19) 0.0520(9) Uani 1 d . .
C103 C 0.9547(2) 1.0480(3) 0.5288(3) 0.0561(14) Uani 1 d . .
C104 C 0.8784(4) 1.1055(4) 0.5334(5) 0.087(2) Uani 1 d . .
C105 C 0.9570(4) 1.1166(4) 0.6375(4) 0.097(3) Uani 1 d . .
N3 N 0.6626(3) -0.1053(3) -0.1418(4) 0.087(2) Uani 1 d . .
O102 O 0.59853(17) -0.04368(15) -0.12969(17) 0.0429(7) Uani 1 d . .
C106 C 0.6488(3) -0.0501(3) -0.1232(4) 0.0698(18) Uani 1 d A .
C107 C 0.6183(5) -0.1635(4) -0.1694(7) 0.119(4) Uani 1 d . .
C108 C 0.7216(6) -0.1102(6) -0.1365(9) 0.152(6) Uani 1 d . .
N4 N 0.6454(3) 0.0565(3) 0.4578(3) 0.0670(14) Uani 1 d . .
O103 O 0.7097(4) 0.1589(3) 0.5127(4) 0.108(2) Uani 1 d . .
C109 C 0.6647(5) 0.1216(4) 0.5027(5) 0.090(2) Uani 1 d . .
C110 C 0.6777(5) 0.0284(4) 0.4198(5) 0.099(3) Uani 1 d . .
C111 C 0.5894(5) 0.0157(4) 0.4443(5) 0.092(3) Uani 1 d . .
N5 N 0.4941(3) 0.8655(2) 0.6484(2) 0.0687(16) Uani 1 d . .
O104 O 0.47483(18) 0.86289(16) 0.55166(16) 0.0457(8) Uani 1 d . .
C112 C 0.5045(3) 0.8532(2) 0.5969(2) 0.0564(15) Uani 1 d . .
C113 C 0.5314(5) 0.8515(4) 0.6988(3) 0.097(3) Uani 1 d . .
C114 C 0.4457(5) 0.8907(4) 0.6562(4) 0.095(3) Uani 1 d . .
N6A N 0.720(2) 0.6437(18) 0.1134(11) 0.030(12) Uiso 0.06 d U 1
N6B N 0.7209(10) 0.6342(8) 0.1314(12) 0.079(6) Uiso 0.27 d U 2
N6C N 0.7152(17) 0.702(2) 0.1297(16) 0.082 Uiso 0.17 d U 3
O105 O 0.7137(12) 0.7307(12) 0.2034(14) 0.07 Uiso 0.25 d U 1
O195 O 0.7049(5) 0.7345(5) 0.2082(5) 0.0115(18) Uiso 0.25 d U 2
C115 C 0.7409(5) 0.6924(5) 0.1800(5) 0.053(2) Uiso 0.5 d . .
C116 C 0.671(2) 0.641(2) 0.0624(13) 0.087(18) Uiso 0.12 d . .
C186 C 0.6642(18) 0.706(2) 0.079(2) 0.080(12) Uiso 0.16 d . .
C196 C 0.7582(10) 0.5961(11) 0.1409(12) 0.042(5) Uiso 0.21 d . .
C117 C 0.7431(8) 0.5869(7) 0.0886(8) 0.083(4) Uiso 0.5 d U .
N7 N 0.6416(2) 0.2849(2) 0.4582(2) 0.0491(10) Uani 1 d . .
O106 O 0.56654(15) 0.31593(16) 0.40562(16) 0.0382(7) Uani 1 d . .
C118 C 0.6119(2) 0.2962(3) 0.4109(3) 0.0450(11) Uani 1 d D .
C119 C 0.6996(3) 0.2689(5) 0.4660(5) 0.081(2) Uani 1 d . .
C120 C 0.6227(3) 0.2926(4) 0.5080(3) 0.0604(15) Uani 1 d . .
N8 N 0.2531(6) 0.9140(7) 0.1792(7) 0.081(3) Uiso 0.5 d . .
O107 O 0.2576(9) 0.9724(10) 0.2803(11) 0.148(6) Uiso 0.5 d . .
C121 C 0.2549(11) 0.9583(12) 0.1623(12) 0.112(6) Uiso 0.5 d . .
C122 C 0.2482(13) 0.8478(14) 0.1304(15) 0.130(8) Uiso 0.5 d . .
C123 C 0.2517(7) 0.9213(8) 0.2339(8) 0.077(4) Uiso 0.5 d . .
N9 N -0.0981(6) 0.1336(6) -0.1733(6) 0.061(3) Uiso 0.4 d . .
O108 O -0.1204(10) 0.0843(9) -0.2843(8) 0.128(6) Uiso 0.4 d . .
C124 C -0.1000(10) 0.0828(11) -0.1602(11) 0.083(5) Uiso 0.4 d . .
C125 C -0.1083(10) 0.1333(9) -0.2322(10) 0.084(5) Uiso 0.4 d . .
C126 C -0.0847(9) 0.2003(10) -0.1226(11) 0.079(5) Uiso 0.4 d . .
N10 N 0.6848(6) -0.0020(7) 0.0466(8) 0.094(4) Uiso 0.5 d V 1
O109 O 0.725(2) -0.0813(14) 0.011(3) 0.152(16) Uiso 0.2 d V 2
O199 O 0.7827(9) 0.0171(10) 0.0664(12) 0.101(6) Uiso 0.3 d V 2
C127 C 0.7314(8) -0.0229(10) 0.0384(12) 0.120(7) Uiso 0.5 d . .
C128 C 0.6953(10) 0.0663(8) 0.0937(11) 0.119(7) Uiso 0.5 d . .
C129 C 0.6235(7) -0.0475(9) 0.0106(11) 0.106(6) Uiso 0.5 d . .
N11 N 0.7215(6) 0.2558(6) 0.2452(6) 0.128(3) Uani 1 d . .
O110 O 0.7052(5) 0.2308(4) 0.3146(5) 0.143(3) Uani 1 d . .
C130 C 0.6931(5) 0.2537(5) 0.2802(5) 0.095(3) Uani 1 d W .
C131 C 0.7000(6) 0.2829(6) 0.2032(6) 0.122(4) Uani 1 d W .
C132 C 0.7923(15) 0.2541(15) 0.260(2) 0.204(17) Uani 0.62 d W 1
C192 C 0.736(3) 0.195(2) 0.215(3) 0.29(5) Uani 0.38 d W 2
N12 N 0.6357(7) 0.3959(7) 0.1046(9) 0.102(4) Uiso 0.5 d . .
O111 O 0.7319(3) 0.4714(3) 0.1534(3) 0.0362(12) Uiso 0.5 d . .
C133 C 0.6926(5) 0.4183(6) 0.1405(7) 0.062(3) Uiso 0.5 d S .
C134 C 0.5908(6) 0.3359(6) 0.0756(7) 0.068(3) Uiso 0.5 d T .
C135 C 0.6034(12) 0.4400(13) 0.086(2) 0.089(10) Uiso 0.22 d X 1
C195 C 0.6094(13) 0.3721(14) 0.1341(15) 0.075(6) Uiso 0.28 d T 2
N13A N 0.572(3) 0.762(4) 0.245(5) 0.10(2) Uiso 0.1 d Y 1
N13B N 0.5317(6) 0.7352(6) 0.2003(7) 0.142(4) Uiso 0.9 d Y 2
O112 O 0.4939(2) 0.6922(3) 0.2529(2) 0.0778(14) Uani 1 d Y .
C136 C 0.5234(5) 0.7418(5) 0.2510(5) 0.098(3) Uani 1 d . .
C137 C 0.5160(18) 0.6711(8) 0.1406(11) 0.161(14) Uani 0.5 d . .
C197 C 0.5260(16) 0.7658(9) 0.1612(10) 0.25(3) Uani 0.5 d . .
C138 C 0.5717(11) 0.7849(8) 0.2076(15) 0.233(13) Uani 1 d Y .
N14 N 0.3444(8) 0.4704(8) 0.1308(8) 0.127(6) Uiso 0.55 d C .
O113 O 0.2796(4) 0.4270(4) 0.0221(4) 0.0113(15) Uiso 0.25 d . .
O123 O 0.2988(4) 0.4392(4) 0.0608(5) 0.0264(17) Uiso 0.3 d . .
C139 C 0.3260(6) 0.4684(7) 0.0734(7) 0.09 Uiso 0.55 d . .
C140 C 0.3960(8) 0.5256(8) 0.1939(8) 0.091(4) Uiso 0.55 d . .
C141 C 0.334(6) 0.408(2) 0.125(2) 0.19(7) Uiso 0.1 d . .
C151 C 0.3982(7) 0.5057(8) 0.1562(8) 0.066(3) Uiso 0.45 d C .
N15 N -0.0775(5) 0.3446(6) 0.0209(6) 0.107(3) Uiso 0.8 d . .
O114 O 0.0285(2) 0.3548(2) 0.0672(2) 0.0523(10) Uiso 0.8 d . .
C142 C -0.0199(6) 0.3551(6) 0.0275(6) 0.091(3) Uiso 0.8 d . .
C143 C -0.0807(10) 0.3277(11) 0.0651(12) 0.160(7) Uiso 0.8 d . .
C144 C -0.1290(11) 0.3566(11) -0.0256(12) 0.166(7) Uiso 0.8 d . .
N16 N 0.0152(4) 0.3035(3) -0.2284(4) 0.099(2) Uani 1 d Z .
O115 O -0.0560(7) 0.2833(11) -0.1971(13) 0.097(8) Uani 0.25 d Z 1
O185 O -0.0716(7) 0.3025(11) -0.2902(11) 0.080(6) Uani 0.25 d A 2
C145 C -0.0191(6) 0.3124(6) -0.2763(6) 0.126(4) Uani 1 d . .
C146 C -0.0015(7) 0.2794(8) -0.1946(7) 0.150(5) Uani 1 d . .
C147 C 0.0856(5) 0.3178(5) -0.2068(5) 0.107(3) Uani 1 d . .
N17 N 0.6807(3) 0.4706(3) 0.6080(3) 0.0785(16) Uani 1 d B .
O116 O 0.7538(3) 0.4429(5) 0.5755(5) 0.126(3) Uani 1 d B 1
C148 C 0.7049(7) 0.4499(8) 0.5642(12) 0.41(3) Uani 1 d . .
C149 C 0.6213(6) 0.4759(8) 0.5822(10) 0.305(19) Uani 1 d . .
C150 C 0.7186(10) 0.4880(16) 0.6753(9) 0.114(10) Uani 0.4 d . .
N18 N 0.4447(6) 0.4964(6) 0.1821(7) 0.066(3) Uiso 0.45 d C 1
O117 O 0.5020(4) 0.4306(3) 0.1939(4) 0.0441(15) Uiso 0.5 d D 2
O197 O 0.5292(6) 0.4310(5) 0.1976(6) 0.075(3) Uiso 0.5 d C 3
C160 C 0.4676(5) 0.4630(6) 0.2058(6) 0.049(2) Uiso 0.45 d C 3
C161 C 0.4436(12) 0.4950(12) 0.1202(13) 0.108(7) Uiso 0.45 d C 3
C162 C 0.4368(14) 0.5373(15) 0.2258(16) 0.124(8) Uiso 0.45 d C 3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-7 -1 15 0.1099
-14 -2 1 0.0445
14 1 0 0.0318
-7 14 -2 0.1219
-1 -15 11 0.1336
7 0 -15 0.0939
8 -13 -1 0.1113
0 -13 14 0.1214
-1 14 -13 0.0919
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 C1 C2 117.8(4) . .
O1 C1 O2 125.0(5) . .
O2 C1 C2 117.2(4) . .
C3 C2 C1 119.9(5) . .
C7 C2 C1 120.0(4) . .
C7 C2 C3 120.1(5) . .
C2 C3 H3 120.5 . .
C4 C3 C2 118.9(6) . .
C4 C3 H3 120.5 . .
C3 C4 H4 119.7 . .
C5 C4 C3 120.5(6) . .
C5 C4 H4 119.7 . .
C4 C5 H5 119.9 . .
C6 C5 C4 120.1(6) . .
C6 C5 H5 120 . .
C5 C6 C7 120.2(5) . .
C5 C6 C8 120.0(5) . .
C7 C6 C8 119.8(4) . .
C2 C7 H7 120 . .
C6 C7 C2 120.0(4) . .
C6 C7 H7 120 . .
O9 C8 C6 116.5(4) . .
O10 C8 C6 116.6(4) . .
O10 C8 O9 126.9(5) . .
O3 C9 C10 117.0(5) . .
O4 C9 C10 117.0(4) . .
O4 C9 O3 126.0(5) . .
C11 C10 C9 120.4(5) . .
C15 C10 C9 119.7(5) . .
C15 C10 C11 119.6(6) . .
C10 C11 H11 120.5 . .
C12 C11 C10 118.9(7) . .
C12 C11 H11 120.5 . .
C11 C12 H12 119.8 . .
C13 C12 C11 120.4(7) . .
C13 C12 H12 119.8 . .
C12 C13 H13 119.6 . .
C14 C13 C12 120.8(7) . .
C14 C13 H13 119.6 . .
C13 C14 C15 119.5(6) . .
C13 C14 C16 120.9(6) . .
C15 C14 C16 119.5(5) . .
C10 C15 H15 119.6 . .
C14 C15 C10 120.7(5) . .
C14 C15 H15 119.6 . .
O19 C16 C14 117.0(5) . .
O20 C16 C14 115.9(5) . .
O20 C16 O19 127.1(5) . .
O5 C17 C18 117.0(4) . .
O5 C17 O6 126.6(4) . .
O6 C17 C18 116.3(4) . .
C19 C18 C17 120.0(4) . .
C23 C18 C17 120.0(4) . .
C23 C18 C19 120.0(4) . .
C18 C19 H19 120.1 . .
C20 C19 C18 119.8(4) . .
C20 C19 H19 120.1 . .
C19 C20 H20 119.9 . .
C21 C20 C19 120.2(4) . .
C21 C20 H20 119.9 . .
C20 C21 H21 119.9 . .
C20 C21 C22 120.2(4) . .
C22 C21 H21 119.9 . .
C21 C22 C24 121.7(4) . .
C23 C22 C21 119.2(4) . .
C23 C22 C24 119.1(4) . .
C18 C23 C22 120.5(4) . .
C18 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
O43 C24 C22 116.5(4) . .
O44 C24 C22 117.9(4) . .
O44 C24 O43 125.6(4) . .
O7 C25 C26 116.2(4) . .
O8 C25 C26 117.1(4) . .
O8 C25 O7 126.7(4) . .
C27 C26 C25 120.1(4) . .
C27 C26 C31 119.8(4) . .
C31 C26 C25 120.1(4) . .
C26 C27 H27 119.5 . .
C28 C27 C26 121.0(5) . .
C28 C27 H27 119.5 . .
C27 C28 H28 120.2 . .
C27 C28 C29 119.6(5) . .
C29 C28 H28 120.2 . .
C28 C29 H29 119.7 . .
C30 C29 C28 120.6(4) . .
C30 C29 H29 119.7 . .
C29 C30 C31 119.3(4) . .
C29 C30 C32 120.2(4) . .
C31 C30 C32 120.5(4) . .
C26 C31 H31 120.1 . .
C30 C31 C26 119.7(4) . .
C30 C31 H31 120.1 . .
O25 C32 C30 116.9(4) . .
O25 C32 O26 125.8(4) . .
O26 C32 C30 117.3(4) . .
O11 C33 C34 116.7(4) . .
O11 C33 O12 126.5(5) . .
O12 C33 C34 116.8(4) . .
C35 C34 C33 121.3(5) . .
C35 C34 C39 119.6(5) . .
C39 C34 C33 119.1(4) . .
C34 C35 H35 119.7 . .
C36 C35 C34 120.7(5) . .
C36 C35 H35 119.7 . .
C35 C36 H36 119.9 . .
C35 C36 C37 120.1(6) . .
C37 C36 H36 120 . .
C36 C37 H37 120.1 . .
C38 C37 C36 119.7(6) . .
C38 C37 H37 120.1 . .
C37 C38 C40 119.9(5) . .
C39 C38 C37 120.5(5) . .
C39 C38 C40 119.6(5) . .
C34 C39 H39 120.3 . .
C38 C39 C34 119.4(5) . .
C38 C39 H39 120.3 . .
O17 C40 C38 116.8(5) . .
O17 C40 O18 126.6(5) . .
O18 C40 C38 116.6(4) . .
O13 C41 C42 116.4(4) . .
O13 C41 O14 126.9(5) . .
O14 C41 C42 116.6(4) . .
C43 C42 C41 120.0(5) . .
C47 C42 C41 119.9(4) . .
C47 C42 C43 120.1(5) . .
C42 C43 H43 120 . .
C44 C43 C42 120.0(6) . .
C44 C43 H43 120 . .
C43 C44 H44 120.2 . .
C43 C44 C45 119.6(6) . .
C45 C44 H44 120.2 . .
C44 C45 H45 119.5 . .
C44 C45 C46 120.9(6) . .
C46 C45 H45 119.5 . .
C45 C46 C47 119.3(5) . .
C45 C46 C48 121.0(5) . .
C47 C46 C48 119.7(4) . .
C42 C47 H47 120 . .
C46 C47 C42 120.0(5) . .
C46 C47 H47 120 . .
O45 C48 C46 117.9(4) . .
O46 C48 C46 116.4(4) . .
O46 C48 O45 125.6(5) . .
O15 C49 C50 117.1(4) . .
O15 C49 O16 126.3(5) . .
O16 C49 C50 116.6(4) . .
C51 C50 C49 120.8(5) . .
C55 C50 C49 118.9(5) . .
C55 C50 C51 120.3(5) . .
C50 C51 H51 119.5 . .
C52 C51 C50 121.0(6) . .
C52 C51 H51 119.5 . .
C51 C52 H52 120.2 . .
C51 C52 C53 119.6(6) . .
C53 C52 H52 120.2 . .
C52 C53 H53 120.5 . .
C54 C53 C52 119.0(6) . .
C54 C53 H53 120.5 . .
C53 C54 C55 120.7(5) . .
C53 C54 C56 120.0(5) . .
C55 C54 C56 119.2(5) . .
C50 C55 C54 119.4(5) . .
C50 C55 H55 120.3 . .
C54 C55 H55 120.3 . .
O39 C56 C54 117.4(4) . .
O40 C56 C54 116.8(4) . .
O40 C56 O39 125.8(5) . .
O21 C57 C58 118.4(6) . .
O21 C57 O22 124.8(6) . .
O22 C57 C58 116.8(5) . .
C59 C58 C57 121.6(6) . .
C59 C58 C63 119.0(6) . .
C63 C58 C57 119.4(5) . .
C58 C59 H59 119.1 . .
C58 C59 C60 121.8(7) . .
C60 C59 H59 119.1 . .
C59 C60 H60 120.6 . .
C59 C60 C61 118.9(7) . .
C61 C60 H60 120.6 . .
C60 C61 H61 120.1 . .
C60 C61 C62 119.9(7) . .
C62 C61 H61 120.1 . .
C61 C62 C64 119.9(6) . .
C63 C62 C61 120.4(6) . .
C63 C62 C64 119.7(5) . .
C58 C63 H63 120 . .
C62 C63 C58 119.9(5) . .
C62 C63 H63 120 . .
O29 C64 C62 117.2(5) . .
O29 C64 O30 125.9(5) . .
O30 C64 C62 116.9(5) . .
O23 C65 C66 117.4(5) . .
O23 C65 O24 126.9(6) . .
O24 C65 C66 115.7(5) . .
C67 C66 C65 119.8(5) . .
C71 C66 C65 119.8(5) . .
C71 C66 C67 120.4(6) . .
C66 C67 H67 119.8 . .
C66 C67 C68 120.3(6) . .
C68 C67 H67 119.8 . .
C67 C68 H68 120.4 . .
C67 C68 C69 119.3(5) . .
C69 C68 H68 120.4 . .
C68 C69 H69 119.9 . .
C70 C69 C68 120.2(6) . .
C70 C69 H69 119.9 . .
C69 C70 C72 119.2(5) . .
C71 C70 C69 119.6(5) . .
C71 C70 C72 121.1(4) . .
C66 C71 C70 120.2(5) . .
C66 C71 H71 119.9 . .
C70 C71 H71 119.9 . .
O35 C72 C70 117.8(4) . .
O35 C72 O36 125.7(5) . .
O36 C72 C70 116.5(5) . .
O27 C73 C74 116.7(4) . .
O28 C73 C74 115.8(4) . .
O28 C73 O27 127.4(4) . .
C75 C74 C73 120.1(4) . .
C79 C74 C73 119.4(4) . .
C79 C74 C75 120.5(4) . .
C74 C75 H75 120.2 . .
C76 C75 C74 119.6(4) . .
C76 C75 H75 120.2 . .
C75 C76 H76 119.8 . .
C77 C76 C75 120.3(4) . .
C77 C76 H76 119.8 . .
C76 C77 H77 120 . .
C76 C77 C78 120.1(4) . .
C78 C77 H77 120 . .
C77 C78 C79 120.0(4) . .
C77 C78 C80 119.9(4) . .
C79 C78 C80 120.1(4) . .
C74 C79 C78 119.4(4) . .
C74 C79 H79 120.3 . .
C78 C79 H79 120.3 . .
O41 C80 C78 116.3(4) . .
O41 C80 O42 126.2(4) . .
O42 C80 C78 117.5(3) . .
O31 C81 C82 117.8(5) . .
O32 C81 C82 116.6(4) . .
O32 C81 O31 125.6(5) . .
C83 C82 C81 120.4(5) . .
C87 C82 C81 120.5(5) . .
C87 C82 C83 119.0(5) . .
C82 C83 H83 120.4 . .
C84 C83 C82 119.1(6) . .
C84 C83 H83 120.4 . .
C83 C84 H84 119.9 . .
C85 C84 C83 120.2(7) . .
C85 C84 H84 119.9 . .
C84 C85 H85 119.4 . .
C86 C85 C84 121.2(7) . .
C86 C85 H85 119.4 . .
C85 C86 C87 119.3(6) . .
C85 C86 C88 121.8(6) . .
C87 C86 C88 118.9(5) . .
C82 C87 C86 121.1(5) . .
C82 C87 H87 119.5 . .
C86 C87 H87 119.5 . .
O33 C88 C86 116.7(5) . .
O34 C88 C86 117.5(5) . .
O34 C88 O33 125.8(5) . .
O37 C89 C90 118.7(4) . .
O37 C89 O38 125.7(5) . .
O38 C89 C90 115.7(4) . .
C91 C90 C89 120.2(4) . .
C95 C90 C89 119.8(4) . .
C95 C90 C91 120.0(5) . .
C90 C91 H91 120.2 . .
C92 C91 C90 119.6(5) . .
C92 C91 H91 120.2 . .
C91 C92 H92 119.6 . .
C93 C92 C91 120.7(5) . .
C93 C92 H92 119.6 . .
C92 C93 H93 120.1 . .
C92 C93 C94 119.8(5) . .
C94 C93 H93 120.1 . .
C93 C94 C96 120.8(4) . .
C95 C94 C93 118.9(5) . .
C95 C94 C96 120.2(4) . .
C90 C95 C94 120.9(4) . .
C90 C95 H95 119.6 . .
C94 C95 H95 119.6 . .
O47 C96 C94 117.7(4) . .
O48 C96 C94 117.5(4) . .
O48 C96 O47 124.8(4) . .
O9 Cu1 Cu2 83.35(10) 2_665 .
O9 Cu1 O101 97.48(15) 2_665 .
O11 Cu1 Cu2 84.17(10) . .
O11 Cu1 O9 167.51(15) . 2_665
O11 Cu1 O101 95.00(15) . .
O13 Cu1 Cu2 84.19(11) . .
O13 Cu1 O9 89.44(19) . 2_665
O13 Cu1 O11 89.63(18) . .
O13 Cu1 O101 93.76(15) . .
O15 Cu1 Cu2 86.24(10) 2_665 .
O15 Cu1 O9 89.35(18) 2_665 2_665
O15 Cu1 O11 89.49(18) 2_665 .
O15 Cu1 O13 170.43(15) 2_665 .
O15 Cu1 O101 95.81(15) 2_665 .
O101 Cu1 Cu2 177.78(12) . .
O10 Cu2 Cu1 85.09(10) 2_665 .
O10 Cu2 O14 88.31(17) 2_665 .
O10 Cu2 O16 89.80(16) 2_665 2_665
O10 Cu2 O105 102.4(7) 2_665 .
O10 Cu2 O195 98.7(3) 2_665 .
O12 Cu2 Cu1 84.40(10) . .
O12 Cu2 O10 169.45(14) . 2_665
O12 Cu2 O14 89.81(18) . .
O12 Cu2 O16 89.57(17) . 2_665
O12 Cu2 O105 88.0(6) . .
O12 Cu2 O195 91.8(3) . .
O14 Cu2 Cu1 84.16(10) . .
O14 Cu2 O16 166.35(14) . 2_665
O14 Cu2 O105 107.1(7) . .
O14 Cu2 O195 100.6(3) . .
O16 Cu2 Cu1 82.21(10) 2_665 .
O16 Cu2 O105 86.5(7) 2_665 .
O16 Cu2 O195 93.0(3) 2_665 .
O105 Cu2 Cu1 166.4(5) . .
O195 Cu2 Cu1 173.9(2) . .
O195 Cu2 O105 7.6(6) . .
O41 Cu3 Cu4 81.43(9) . .
O41 Cu3 O45 90.40(16) . .
O41 Cu3 O47 89.97(14) . .
O41 Cu3 O104 89.34(13) . .
O43 Cu3 Cu4 89.57(9) . .
O43 Cu3 O41 171.00(12) . .
O43 Cu3 O45 88.68(17) . .
O43 Cu3 O47 88.79(15) . .
O43 Cu3 O104 99.63(14) . .
O45 Cu3 Cu4 84.78(10) . .
O45 Cu3 O104 100.86(14) . .
O47 Cu3 Cu4 81.50(9) . .
O47 Cu3 O45 166.07(13) . .
O47 Cu3 O104 93.07(13) . .
O104 Cu3 Cu4 169.25(10) . .
O42 Cu4 Cu3 86.97(8) . .
O42 Cu4 O44 165.74(12) . .
O42 Cu4 O112 102.27(18) . .
O44 Cu4 Cu3 78.79(9) . .
O44 Cu4 O112 91.97(18) . .
O46 Cu4 Cu3 83.63(10) . .
O46 Cu4 O42 90.41(15) . .
O46 Cu4 O44 88.87(15) . .
O46 Cu4 O112 90.53(17) . .
O48 Cu4 Cu3 86.60(9) . .
O48 Cu4 O42 88.61(14) . .
O48 Cu4 O44 89.69(15) . .
O48 Cu4 O46 170.21(13) . .
O48 Cu4 O112 99.19(17) . .
O112 Cu4 Cu3 169.13(17) . .
O33 Cu5 Cu6 86.72(12) . .
O33 Cu5 O39 88.95(19) . .
O33 Cu5 O114 98.13(19) . .
O35 Cu5 Cu6 81.99(10) 2_665 .
O35 Cu5 O33 168.71(16) 2_665 .
O35 Cu5 O39 89.92(18) 2_665 .
O35 Cu5 O114 93.15(17) 2_665 .
O37 Cu5 Cu6 84.02(10) . .
O37 Cu5 O33 88.77(18) . .
O37 Cu5 O35 89.96(17) . 2_665
O37 Cu5 O39 167.75(15) . .
O37 Cu5 O114 98.54(16) . .
O39 Cu5 Cu6 83.83(11) . .
O39 Cu5 O114 93.70(17) . .
O114 Cu5 Cu6 174.54(14) . .
O34 Cu6 Cu5 81.77(12) . .
O34 Cu6 O36 168.07(16) . 2_665
O34 Cu6 O113 104.6(3) . .
O34 Cu6 O123 88.4(3) . .
O36 Cu6 Cu5 86.30(11) 2_665 .
O36 Cu6 O113 87.2(3) 2_665 .
O36 Cu6 O123 103.4(3) 2_665 .
O38 Cu6 Cu5 84.17(10) . .
O38 Cu6 O34 88.90(17) . .
O38 Cu6 O36 90.14(17) . 2_665
O38 Cu6 O40 168.82(14) . .
O38 Cu6 O113 101.5(2) . .
O38 Cu6 O123 87.9(3) . .
O40 Cu6 Cu5 84.67(10) . .
O40 Cu6 O34 90.10(18) . .
O40 Cu6 O36 88.54(17) . 2_665
O40 Cu6 O113 89.5(2) . .
O40 Cu6 O123 103.2(3) . .
O113 Cu6 Cu5 171.4(2) . .
O123 Cu6 Cu5 167.5(3) . .
O123 Cu6 O113 21.1(3) . .
O25 Cu7 Cu8 80.11(9) . .
O25 Cu7 O106 91.52(12) . .
O27 Cu7 Cu8 85.87(10) . .
O27 Cu7 O25 165.98(14) . .
O27 Cu7 O106 102.44(13) . .
O29 Cu7 Cu8 82.96(11) . .
O29 Cu7 O25 90.30(16) . .
O29 Cu7 O27 88.46(17) . .
O29 Cu7 O106 89.78(14) . .
O31 Cu7 Cu8 87.74(10) . .
O31 Cu7 O25 91.01(14) . .
O31 Cu7 O27 87.93(15) . .
O31 Cu7 O29 170.24(15) . .
O31 Cu7 O106 99.85(14) . .
O106 Cu7 Cu8 168.85(9) . .
O26 Cu8 Cu7 88.23(10) . .
O26 Cu8 O28 170.58(14) . .
O26 Cu8 O30 88.91(16) . .
O26 Cu8 O32 90.13(16) . .
O26 Cu8 O117 101.2(2) . .
O26 Cu8 O197 96.8(3) . .
O28 Cu8 Cu7 82.35(10) . .
O28 Cu8 O30 89.94(16) . .
O28 Cu8 O32 88.62(16) . .
O28 Cu8 O117 88.1(2) . .
O28 Cu8 O197 92.5(3) . .
O30 Cu8 Cu7 84.80(11) . .
O30 Cu8 O32 165.30(15) . .
O30 Cu8 O117 107.5(2) . .
O30 Cu8 O197 91.2(3) . .
O32 Cu8 Cu7 80.51(10) . .
O32 Cu8 O117 87.1(2) . .
O32 Cu8 O197 103.5(3) . .
O117 Cu8 Cu7 164.5(2) . .
O197 Cu8 Cu7 173.5(3) . .
O197 Cu8 O117 16.9(3) . .
O17 Cu9 Cu10 83.37(11) . .
O17 Cu9 O19 169.97(17) . .
O17 Cu9 O21 89.2(2) . .
O17 Cu9 O23 89.27(18) . .
O17 Cu9 O10W 93.27(16) . .
O19 Cu9 Cu10 86.79(12) . .
O19 Cu9 O21 87.7(2) . .
O19 Cu9 O23 91.2(2) . .
O19 Cu9 O10W 96.54(17) . .
O21 Cu9 Cu10 83.05(12) . .
O21 Cu9 O10W 96.12(17) . .
O23 Cu9 Cu10 81.83(11) . .
O23 Cu9 O21 164.88(17) . .
O23 Cu9 O10W 98.99(17) . .
O10W Cu9 Cu10 176.54(13) . .
O18 Cu10 Cu9 84.86(11) . .
O18 Cu10 O20 165.95(15) . .
O18 Cu10 O111 102.17(19) . .
O20 Cu10 Cu9 81.09(10) . .
O20 Cu10 O111 91.84(19) . .
O22 Cu10 Cu9 84.52(11) . .
O22 Cu10 O18 90.1(2) . .
O22 Cu10 O20 88.93(19) . .
O22 Cu10 O111 90.0(2) . .
O24 Cu10 Cu9 86.16(11) . .
O24 Cu10 O18 88.7(2) . .
O24 Cu10 O20 89.99(19) . .
O24 Cu10 O22 170.67(16) . .
O24 Cu10 O111 99.3(2) . .
O111 Cu10 Cu9 171.11(17) . .
O1 Cu11 Cu12 85.41(9) . .
O1 Cu11 O5 88.73(14) . 2_665
O1 Cu11 O7 88.81(16) . .
O1 Cu11 O102 98.02(13) . .
O3 Cu11 Cu12 84.47(11) . .
O3 Cu11 O1 169.81(14) . .
O3 Cu11 O5 91.41(17) . 2_665
O3 Cu11 O7 88.75(18) . .
O3 Cu11 O102 92.12(14) . .
O5 Cu11 Cu12 83.85(9) 2_665 .
O5 Cu11 O102 94.90(13) 2_665 .
O7 Cu11 Cu12 83.10(10) . .
O7 Cu11 O5 166.87(14) . 2_665
O7 Cu11 O102 98.22(14) . .
O102 Cu11 Cu12 176.34(11) . .
O2 Cu12 Cu11 83.20(9) . .
O2 Cu12 O2WA 103.0(2) . .
O2 Cu12 O2WB 84.9(3) . .
O4 Cu12 Cu11 83.60(10) . .
O4 Cu12 O2 166.71(14) . .
O4 Cu12 O2WA 89.9(2) . .
O4 Cu12 O2WB 108.4(3) . .
O6 Cu12 Cu11 84.50(9) 2_665 .
O6 Cu12 O2 88.68(15) 2_665 .
O6 Cu12 O4 91.62(15) 2_665 .
O6 Cu12 O8 170.00(13) 2_665 .
O6 Cu12 O2WA 103.9(2) 2_665 .
O6 Cu12 O2WB 89.8(3) 2_665 .
O8 Cu12 Cu11 85.53(9) . .
O8 Cu12 O2 89.31(16) . .
O8 Cu12 O4 88.10(16) . .
O8 Cu12 O2WA 86.1(2) . .
O8 Cu12 O2WB 99.8(3) . .
O2WA Cu12 Cu11 169.5(2) . .
O2WB Cu12 Cu11 166.9(3) . .
O2WB Cu12 O2WA 22.8(3) . .
C1 O1 Cu11 122.4(3) . .
C1 O2 Cu12 124.0(3) . .
C9 O3 Cu11 122.5(4) . .
C9 O4 Cu12 122.6(3) . .
C17 O5 Cu11 122.1(3) . 2_665
C17 O6 Cu12 122.4(3) . 2_665
C25 O7 Cu11 123.4(3) . .
C25 O8 Cu12 121.2(3) . .
C8 O9 Cu1 123.0(3) . 2_665
C8 O10 Cu2 121.2(3) . 2_665
C33 O11 Cu1 122.4(3) . .
C33 O12 Cu2 122.4(3) . .
C41 O13 Cu1 122.7(4) . .
C41 O14 Cu2 121.7(3) . .
C49 O15 Cu1 120.8(3) . 2_665
C49 O16 Cu2 124.2(3) . 2_665
C40 O17 Cu9 124.1(3) . .
C40 O18 Cu10 120.9(3) . .
C16 O19 Cu9 119.3(4) . .
C16 O20 Cu10 125.3(3) . .
C57 O21 Cu9 123.8(4) . .
C57 O22 Cu10 123.6(4) . .
C65 O23 Cu9 124.0(4) . .
C65 O24 Cu10 120.8(4) . .
C32 O25 Cu7 126.8(3) . .
C32 O26 Cu8 118.4(3) . .
C73 O27 Cu7 119.1(3) . .
C73 O28 Cu8 124.3(3) . .
C64 O29 Cu7 124.1(4) . .
C64 O30 Cu8 121.0(3) . .
C81 O31 Cu7 119.1(3) . .
C81 O32 Cu8 126.3(3) . .
C88 O33 Cu5 119.9(4) . .
C88 O34 Cu6 125.7(4) . .
C72 O35 Cu5 125.8(3) . 2_665
C72 O36 Cu6 120.2(4) . 2_665
C89 O37 Cu5 123.2(3) . .
C89 O38 Cu6 123.0(3) . .
C56 O39 Cu5 122.5(3) . .
C56 O40 Cu6 123.0(3) . .
C80 O41 Cu3 126.3(3) . .
C80 O42 Cu4 118.7(3) . .
C24 O43 Cu3 117.0(3) . .
C24 O44 Cu4 128.5(3) . .
C48 O45 Cu3 120.9(3) . .
C48 O46 Cu4 124.2(3) . .
C96 O47 Cu3 125.1(3) . .
C96 O48 Cu4 121.1(3) . .
C197 O2WB Cu12 125.5(8) 2_665 .
O113 O12W C117 152.1(17) 2_665 .
C100 N1 C101 119.8(13) . .
C100 N1 C102 121.3(13) . .
C102 N1 C101 118.6(11) . .
O100 C100 N1 121.8(18) . .
C103 N2 C104 121.9(6) . .
C103 N2 C105 119.5(6) . .
C104 N2 C105 118.5(6) . .
C103 O101 Cu1 125.8(4) . .
O101 C103 N2 123.0(6) . .
C106 N3 C107 121.1(7) . .
C106 N3 C108 123.2(8) . .
C107 N3 C108 115.7(7) . .
C106 O102 Cu11 121.5(4) . .
O102 C106 N3 126.1(7) . .
C109 N4 C110 119.5(8) . .
C109 N4 C111 120.4(7) . .
C110 N4 C111 120.0(6) . .
O103 C109 N4 122.9(9) . .
C112 N5 C113 120.9(7) . .
C112 N5 C114 121.4(7) . .
C114 N5 C113 117.7(6) . .
C112 O104 Cu3 118.0(3) . .
O104 C112 N5 125.1(7) . .
C115 N6A C196 89.2(17) . .
C115 N6A C117 125.6(16) . .
C116 N6A C115 121.3(17) . .
C116 N6A C196 144(3) . .
C116 N6A C117 112.9(16) . .
C115 N6B C116 100.2(18) . .
C115 N6B C196 115(2) . .
C115 N6B C117 139(2) . .
C196 N6B C116 138(2) . .
C196 N6B C117 46.3(13) . .
C117 N6B C116 92.5(17) . .
C115 N6C C116 114(3) . .
C115 N6C C186 155(4) . .
C186 N6C C116 60(3) . .
C115 O105 Cu2 116.1(17) . .
C115 O195 Cu2 105.5(6) . .
N6A C115 O195 125.6(15) . .
N6B C115 N6C 82(2) . .
N6B C115 O195 128.2(14) . .
N6C C115 N6A 58(2) . .
N6C C115 O195 82.7(19) . .
O105 C115 N6A 126.5(19) . .
O105 C115 N6B 131.5(19) . .
O105 C115 N6C 80(2) . .
N6A C116 N6C 54(2) . .
N6A C116 C186 113(3) . .
N6C C116 N6B 60.9(12) . .
C186 C116 N6B 118(2) . .
C186 C116 N6C 59(2) . .
N6C C186 O8WA 121(4) . 2_665
N6C C186 C116 61(2) . .
C116 C186 O8WA 146(5) . 2_665
C117 C196 N6A 56.4(13) . .
C117 C196 N6B 70.3(16) . .
O12W C117 N6A 89(2) . .
O12W C117 N6B 111.9(17) . .
C196 C117 O12W 162(2) . .
C196 C117 N6A 84.7(18) . .
C196 C117 N6B 63.4(13) . .
C118 N7 C119 120.8(5) . .
C118 N7 C120 122.7(5) . .
C120 N7 C119 116.3(5) . .
C118 O106 Cu7 115.2(3) . .
O106 C118 N7 124.3(5) . .
C121 N8 C122 118.2(19) . .
C123 N8 C121 128.2(17) . .
C123 N8 C122 113.5(17) . .
O107 C123 N8 122.9(18) . .
C125 N9 C124 132.5(14) . .
C125 N9 C126 104.4(15) . .
C126 N9 C124 123.1(15) . .
O108 C125 N9 121(2) . .
C127 N10 C128 120.5(13) . .
C127 N10 C129 120.3(13) . .
C129 N10 C128 119.2(12) . .
O109 C127 N10 118(3) . .
O109 C127 O199 121(3) . .
O199 C127 N10 119.5(19) . .
C130 N11 C131 120.2(10) . .
C130 N11 C132 127.2(19) . .
C130 N11 C192 109(2) . .
C131 N11 C132 109.5(17) . .
C192 N11 C131 117(2) . .
C192 N11 C132 57(2) . .
O110 C130 N11 126.3(11) . .
C133 N12 C134 133.8(13) . .
C133 N12 C135 116.3(14) . .
C133 N12 C195 108.9(17) . .
C134 N12 C135 109.9(13) . .
C195 N12 C134 48.2(13) . .
C195 N12 C135 114(2) . .
C133 O111 Cu10 110.6(6) . .
N12 C133 O111 127.3(12) . .
O13W C134 N12 102.7(13) . .
C195 C134 O13W 154(2) . .
C195 C134 N12 65.5(16) . .
C134 C195 N12 66.3(16) . .
C138 N13A C136 127(7) . .
C136 N13B C137 120.9(12) . .
C136 N13B C197 140.7(16) . .
C136 N13B C138 122.1(16) . .
C137 N13B C197 91.7(14) . .
C138 N13B C137 114.3(16) . .
C138 N13B C197 45.9(16) . .
C136 O112 Cu4 106.5(4) . .
N13A C136 O112 143(4) . .
N13B C136 N13A 45(4) . .
N13B C136 O112 126.6(10) . .
N13B C197 O2WB 137.9(18) . 2_665
C138 C197 O2WB 158.3(17) . 2_665
C138 C197 N13B 63.6(15) . .
C197 C138 N13A 114(3) . .
C197 C138 N13B 70.5(11) . .
O123 N14 C140 151.7(14) . .
O123 N14 C141 90.2(18) . .
C139 N14 C140 119.8(14) . .
C139 N14 C141 117(2) . .
C140 N14 C141 117.1(19) . .
C151 N14 O123 124.5(16) . .
C151 N14 C139 93.2(15) . .
C151 N14 C141 120(5) . .
O12W O113 Cu6 115.1(9) 2_665 .
O123 O113 Cu6 76.2(9) . .
O123 O113 O12W 167.5(14) . 2_665
C139 O113 Cu6 109.1(9) . .
C139 O113 O12W 133.0(13) . 2_665
N14 O123 Cu6 109.6(9) . .
O113 O123 Cu6 82.7(9) . .
O113 O123 N14 166.6(14) . .
C139 O123 Cu6 146.5(16) . .
C139 O123 N14 65.7(13) . .
C139 O123 O113 101.2(16) . .
O113 C139 N14 121.1(14) . .
O113 C139 C151 158.3(15) . .
O123 C139 N14 81.6(16) . .
O123 C139 C151 121.8(17) . .
N14 C140 N18 94.6(13) . .
C151 C140 N14 58.2(15) . .
C151 C140 N18 52.7(16) . .
C151 C140 C162 102(3) . .
C162 C140 N14 143(3) . .
C162 C140 N18 53(2) . .
N14 C151 C161 127.2(17) . .
N14 C151 C162 119.4(19) . .
C140 C151 N14 85.9(17) . .
C140 C151 C139 119.5(18) . .
C140 C151 N18 92(2) . .
C140 C151 C161 146(2) . .
N18 C151 N14 126.2(17) . .
N18 C151 C139 141.8(15) . .
N18 C151 C161 63.3(13) . .
N18 C151 C162 54.0(15) . .
C161 C151 C139 93.2(13) . .
C162 C151 C139 160.3(18) . .
C162 C151 C161 106.4(19) . .
C142 N15 C143 111.2(14) . .
C142 N15 C144 121.8(13) . .
C143 N15 C144 126.8(16) . .
C142 O114 Cu5 118.9(7) . .
O114 C142 N15 130.9(12) . .
C145 N16 C146 130.5(12) . .
C145 N16 C147 117.2(10) . .
C146 N16 C147 112.2(10) . .
O185 C145 N16 115.3(18) . .
O115 C146 N16 113.5(16) . .
C148 N17 C149 115.5(12) . .
C148 N17 C150 117.7(11) . .
C149 N17 C150 126.8(13) . .
O116 C148 N17 127(2) . .
C151 N18 C140 35.4(10) . .
C160 O197 Cu8 94.3(7) . .
O197 C160 C162 146.8(12) . .
C140 C162 C151 37.5(18) . .
C140 C162 C160 112(3) . .
C151 C162 C160 87.7(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.490(7) .
C1 O1 1.259(6) .
C1 O2 1.279(6) .
C2 C3 1.404(8) .
C2 C7 1.397(7) .
C3 H3 0.95 .
C3 C4 1.404(10) .
C4 H4 0.95 .
C4 C5 1.390(10) .
C5 H5 0.95 .
C5 C6 1.387(8) .
C6 C7 1.393(7) .
C6 C8 1.508(7) .
C7 H7 0.95 .
C8 O9 1.249(6) .
C8 O10 1.248(6) .
C9 C10 1.497(8) .
C9 O3 1.264(6) .
C9 O4 1.245(6) .
C10 C11 1.398(10) .
C10 C15 1.397(8) .
C11 H11 0.95 .
C11 C12 1.394(11) .
C12 H12 0.95 .
C12 C13 1.386(11) .
C13 H13 0.95 .
C13 C14 1.372(9) .
C14 C15 1.383(8) .
C14 C16 1.500(8) .
C15 H15 0.95 .
C16 O19 1.253(7) .
C16 O20 1.246(7) .
C17 C18 1.503(6) .
C17 O5 1.251(6) .
C17 O6 1.260(5) .
C18 C19 1.395(6) .
C18 C23 1.376(7) .
C19 H19 0.95 .
C19 C20 1.388(7) .
C20 H20 0.95 .
C20 C21 1.377(8) .
C21 H21 0.95 .
C21 C22 1.401(6) .
C22 C23 1.389(6) .
C22 C24 1.490(7) .
C23 H23 0.95 .
C24 O43 1.277(5) .
C24 O44 1.242(5) .
C25 C26 1.499(6) .
C25 O7 1.262(6) .
C25 O8 1.259(6) .
C26 C27 1.376(7) .
C26 C31 1.393(6) .
C27 H27 0.95 .
C27 C28 1.368(8) .
C28 H28 0.95 .
C28 C29 1.388(7) .
C29 H29 0.95 .
C29 C30 1.386(7) .
C30 C31 1.392(6) .
C30 C32 1.494(6) .
C31 H31 0.95 .
C32 O25 1.256(5) .
C32 O26 1.266(6) .
C33 C34 1.510(8) .
C33 O11 1.251(6) .
C33 O12 1.254(6) .
C34 C35 1.387(8) .
C34 C39 1.404(7) .
C35 H35 0.95 .
C35 C36 1.361(9) .
C36 H36 0.95 .
C36 C37 1.393(9) .
C37 H37 0.95 .
C37 C38 1.387(8) .
C38 C39 1.375(8) .
C38 C40 1.513(7) .
C39 H39 0.95 .
C40 O17 1.253(6) .
C40 O18 1.265(6) .
C41 C42 1.516(7) .
C41 O13 1.239(6) .
C41 O14 1.253(6) .
C42 C43 1.395(8) .
C42 C47 1.392(7) .
C43 H43 0.95 .
C43 C44 1.384(10) .
C44 H44 0.95 .
C44 C45 1.389(10) .
C45 H45 0.95 .
C45 C46 1.389(8) .
C46 C47 1.390(7) .
C46 C48 1.495(7) .
C47 H47 0.95 .
C48 O45 1.271(6) .
C48 O46 1.248(6) .
C49 C50 1.505(7) .
C49 O15 1.247(6) .
C49 O16 1.256(6) .
C50 C51 1.391(8) .
C50 C55 1.386(7) .
C51 H51 0.95 .
C51 C52 1.370(10) .
C52 H52 0.95 .
C52 C53 1.426(10) .
C53 H53 0.95 .
C53 C54 1.388(8) .
C54 C55 1.399(7) .
C54 C56 1.502(7) .
C55 H55 0.95 .
C56 O39 1.263(6) .
C56 O40 1.257(6) .
C57 C58 1.489(9) .
C57 O21 1.249(7) .
C57 O22 1.259(7) .
C58 C59 1.381(9) .
C58 C63 1.392(8) .
C59 H59 0.95 .
C59 C60 1.388(12) .
C60 H60 0.95 .
C60 C61 1.391(11) .
C61 H61 0.95 .
C61 C62 1.393(9) .
C62 C63 1.388(8) .
C62 C64 1.506(8) .
C63 H63 0.95 .
C64 O29 1.249(6) .
C64 O30 1.262(6) .
C65 C66 1.512(8) .
C65 O23 1.250(6) .
C65 O24 1.253(6) .
C66 C67 1.384(8) .
C66 C71 1.382(8) .
C67 H67 0.95 .
C67 C68 1.393(10) .
C68 H68 0.95 .
C68 C69 1.398(9) .
C69 H69 0.95 .
C69 C70 1.397(7) .
C70 C71 1.391(8) .
C70 C72 1.495(7) .
C71 H71 0.95 .
C72 O35 1.247(7) .
C72 O36 1.266(6) .
C73 C74 1.518(6) .
C73 O27 1.256(6) .
C73 O28 1.249(6) .
C74 C75 1.391(6) .
C74 C79 1.383(7) .
C75 H75 0.95 .
C75 C76 1.391(7) .
C76 H76 0.95 .
C76 C77 1.376(7) .
C77 H77 0.95 .
C77 C78 1.392(6) .
C78 C79 1.396(6) .
C78 C80 1.508(6) .
C79 H79 0.95 .
C80 O41 1.254(5) .
C80 O42 1.261(5) .
C81 C82 1.496(7) .
C81 O31 1.264(6) .
C81 O32 1.255(6) .
C82 C83 1.408(9) .
C82 C87 1.384(8) .
C83 H83 0.95 .
C83 C84 1.401(10) .
C84 H84 0.95 .
C84 C85 1.372(11) .
C85 H85 0.95 .
C85 C86 1.368(10) .
C86 C87 1.394(8) .
C86 C88 1.506(8) .
C87 H87 0.95 .
C88 O33 1.260(7) .
C88 O34 1.258(7) .
C89 C90 1.501(7) .
C89 O37 1.246(6) .
C89 O38 1.262(6) .
C90 C91 1.391(7) .
C90 C95 1.379(7) .
C91 H91 0.95 .
C91 C92 1.390(8) .
C92 H92 0.95 .
C92 C93 1.380(8) .
C93 H93 0.95 .
C93 C94 1.405(6) .
C94 C95 1.394(6) .
C94 C96 1.491(7) .
C95 H95 0.95 .
C96 O47 1.265(5) .
C96 O48 1.262(6) .
Cu1 Cu2 2.6267(8) .
Cu1 O9 1.963(4) 2_665
Cu1 O11 1.963(4) .
Cu1 O13 1.957(4) .
Cu1 O15 1.956(4) 2_665
Cu1 O101 2.132(3) .
Cu2 O10 1.964(4) 2_665
Cu2 O12 1.958(4) .
Cu2 O14 1.969(4) .
Cu2 O16 1.978(4) 2_665
Cu2 O105 2.17(3) .
Cu2 O195 2.146(11) .
Cu3 Cu4 2.6341(7) .
Cu3 O41 1.958(3) .
Cu3 O43 1.944(3) .
Cu3 O45 1.981(4) .
Cu3 O47 1.972(3) .
Cu3 O104 2.133(3) .
Cu4 O42 1.973(3) .
Cu4 O44 1.984(3) .
Cu4 O46 1.960(3) .
Cu4 O48 1.938(3) .
Cu4 O112 2.152(4) .
Cu5 Cu6 2.6346(9) .
Cu5 O33 1.963(4) .
Cu5 O35 1.962(4) 2_665
Cu5 O37 1.960(4) .
Cu5 O39 1.977(4) .
Cu5 O114 2.141(5) .
Cu6 O34 1.962(4) .
Cu6 O36 1.964(4) 2_665
Cu6 O38 1.954(3) .
Cu6 O40 1.954(4) .
Cu6 O113 2.169(8) .
Cu6 O123 2.124(9) .
Cu7 Cu8 2.6388(9) .
Cu7 O25 1.986(3) .
Cu7 O27 1.978(3) .
Cu7 O29 1.953(4) .
Cu7 O31 1.943(4) .
Cu7 O106 2.136(3) .
Cu8 O26 1.953(3) .
Cu8 O28 1.956(3) .
Cu8 O30 1.970(4) .
Cu8 O32 1.977(4) .
Cu8 O117 2.178(8) .
Cu8 O197 2.143(11) .
Cu9 Cu10 2.6493(9) .
Cu9 O17 1.944(4) .
Cu9 O19 1.959(4) .
Cu9 O21 1.985(5) .
Cu9 O23 1.981(4) .
Cu9 O10W 2.128(5) .
Cu10 O18 1.967(4) .
Cu10 O20 1.972(4) .
Cu10 O22 1.952(4) .
Cu10 O24 1.945(4) .
Cu10 O111 2.175(6) .
Cu11 Cu12 2.6406(8) .
Cu11 O1 1.960(3) .
Cu11 O3 1.939(4) .
Cu11 O5 1.972(3) 2_665
Cu11 O7 1.967(3) .
Cu11 O102 2.140(3) .
Cu12 O2 1.969(4) .
Cu12 O4 1.964(4) .
Cu12 O6 1.950(3) 2_665
Cu12 O8 1.958(3) .
Cu12 O2WA 2.180(8) .
Cu12 O2WB 2.179(9) .
O5 Cu11 1.972(3) 2_665
O6 Cu12 1.950(3) 2_665
O9 Cu1 1.963(4) 2_665
O10 Cu2 1.964(4) 2_665
O15 Cu1 1.956(4) 2_665
O16 Cu2 1.978(4) 2_665
O35 Cu5 1.961(4) 2_665
O36 Cu6 1.964(4) 2_665
O2WB C197 1.84(3) 2_665
O4WB O9WB 1.08(3) 1_455
O8WA C186 1.52(5) 2_665
O9WB O4WB 1.08(3) 1_655
O12W C117 1.31(2) .
O12W O113 1.246(19) 2_665
O13W C134 1.32(2) .
N1 C100 1.33(2) .
N1 C101 1.440(18) .
N1 C102 1.431(17) .
O100 C100 1.21(2) .
N2 C103 1.345(7) .
N2 C104 1.431(10) .
N2 C105 1.449(10) .
O101 C103 1.238(7) .
N3 C106 1.326(8) .
N3 C107 1.401(11) .
N3 C108 1.421(13) .
O102 C106 1.211(8) .
N4 C109 1.354(10) .
N4 C110 1.428(9) .
N4 C111 1.457(11) .
O103 C109 1.242(12) .
N5 C112 1.317(7) .
N5 C113 1.470(11) .
N5 C114 1.411(12) .
O104 C112 1.246(7) .
N6A C115 1.366(17) .
N6A C116 1.362(18) .
N6A C196 1.79(3) .
N6A C117 1.493(17) .
N6B C115 1.252(16) .
N6B C116 1.81(3) .
N6B C196 1.394(18) .
N6B C117 1.47(2) .
N6C C115 1.333(18) .
N6C C116 1.51(5) .
N6C C186 1.466(19) .
O105 C115 1.240(17) .
O195 C115 1.503(14) .
C116 C186 1.49(6) .
C186 O8WA 1.52(5) 2_665
C196 C117 1.13(3) .
N7 C118 1.312(7) .
N7 C119 1.470(7) .
N7 C120 1.432(7) .
O106 C118 1.232(6) .
N8 C121 1.35(3) .
N8 C122 1.46(3) .
N8 C123 1.32(2) .
O107 C123 1.19(2) .
N9 C124 1.44(3) .
N9 C125 1.41(2) .
N9 C126 1.43(2) .
O108 C125 1.191(13) .
N10 C127 1.329(14) .
N10 C128 1.451(15) .
N10 C129 1.446(14) .
O109 C127 1.226(19) .
O199 C127 1.240(17) .
N11 C130 1.329(14) .
N11 C131 1.466(16) .
N11 C132 1.64(3) .
N11 C192 1.46(2) .
O110 C130 1.205(12) .
N12 C133 1.238(17) .
N12 C134 1.433(14) .
N12 C135 1.537(16) .
N12 C195 1.42(3) .
O111 C133 1.384(14) .
C134 C195 1.17(3) .
N13A C136 1.36(2) .
N13A C138 1.29(8) .
N13B C136 1.306(15) .
N13B C137 1.455(15) .
N13B C197 1.474(18) .
N13B C138 1.401(14) .
O112 C136 1.402(11) .
C197 O2WB 1.84(3) 2_665
C197 C138 1.12(4) .
N14 O123 1.436(19) .
N14 C139 1.322(15) .
N14 C140 1.470(15) .
N14 C141 1.472(18) .
N14 C151 1.25(2) .
O113 O12W 1.246(19) 2_665
O113 O123 0.788(10) .
O113 C139 1.215(13) .
O123 C139 0.785(13) .
C139 C151 1.87(2) .
C140 C151 0.86(2) .
C140 N18 1.49(2) .
C140 C162 0.93(3) .
C151 N18 1.18(2) .
C151 C161 1.64(3) .
C151 C162 1.39(4) .
N15 C142 1.348(16) .
N15 C143 1.39(2) .
N15 C144 1.53(2) .
O114 C142 1.234(13) .
N16 C145 1.318(14) .
N16 C146 1.398(17) .
N16 C147 1.554(14) .
O115 C146 1.32(3) .
O185 C145 1.17(2) .
N17 C148 1.353(17) .
N17 C149 1.398(11) .
N17 C150 1.415(12) .
O116 C148 1.169(14) .
O197 C160 1.785(17) .
C160 C162 1.94(3) .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C1 C2 C3 C4 -176.5(7) . .
C1 C2 C7 C6 177.7(5) . .
C2 C1 O1 Cu11 -177.8(3) . .
C2 C1 O2 Cu12 -179.8(3) . .
C2 C3 C4 C5 -3.3(15) . .
C3 C2 C7 C6 -2.6(8) . .
C3 C4 C5 C6 1.5(15) . .
C4 C5 C6 C7 -0.2(12) . .
C4 C5 C6 C8 176.6(8) . .
C5 C6 C7 C2 0.8(9) . .
C5 C6 C8 O9 -4.8(9) . .
C5 C6 C8 O10 173.8(6) . .
C6 C8 O9 Cu1 -173.1(4) . 2_665
C6 C8 O10 Cu2 177.5(4) . 2_665
C7 C2 C3 C4 3.8(11) . .
C7 C6 C8 O9 172.1(5) . .
C7 C6 C8 O10 -9.3(8) . .
C8 C6 C7 C2 -176.1(5) . .
C9 C10 C11 C12 -175.8(10) . .
C9 C10 C15 C14 175.5(6) . .
C10 C9 O3 Cu11 169.8(4) . .
C10 C9 O4 Cu12 -167.9(4) . .
C10 C11 C12 C13 1(2) . .
C11 C10 C15 C14 1.5(11) . .
C11 C12 C13 C14 0(2) . .
C12 C13 C14 C15 -0.3(17) . .
C12 C13 C14 C16 178.1(11) . .
C13 C14 C15 C10 -0.5(12) . .
C13 C14 C16 O19 3.0(12) . .
C13 C14 C16 O20 -178.6(8) . .
C14 C16 O19 Cu9 -178.3(5) . .
C14 C16 O20 Cu10 173.5(5) . .
C15 C10 C11 C12 -1.8(16) . .
C15 C14 C16 O19 -178.6(7) . .
C15 C14 C16 O20 -0.2(10) . .
C16 C14 C15 C10 -178.8(6) . .
C17 C18 C19 C20 -175.6(4) . .
C17 C18 C23 C22 174.8(4) . .
C18 C17 O5 Cu11 168.0(3) . 2_665
C18 C17 O6 Cu12 -170.2(3) . 2_665
C18 C19 C20 C21 -0.2(8) . .
C19 C18 C23 C22 -2.1(7) . .
C19 C20 C21 C22 -0.2(8) . .
C20 C21 C22 C23 -0.6(7) . .
C20 C21 C22 C24 178.8(5) . .
C21 C22 C23 C18 1.7(7) . .
C21 C22 C24 O43 -3.3(7) . .
C21 C22 C24 O44 178.0(4) . .
C22 C24 O43 Cu3 178.9(3) . .
C22 C24 O44 Cu4 173.7(3) . .
C23 C18 C19 C20 1.3(7) . .
C23 C22 C24 O43 176.1(4) . .
C23 C22 C24 O44 -2.6(7) . .
C24 C22 C23 C18 -177.7(4) . .
C25 C26 C27 C28 178.4(6) . .
C25 C26 C31 C30 -176.2(5) . .
C26 C25 O7 Cu11 -177.2(4) . .
C26 C25 O8 Cu12 -179.7(4) . .
C26 C27 C28 C29 -1.7(11) . .
C27 C26 C31 C30 2.4(8) . .
C27 C28 C29 C30 1.4(10) . .
C28 C29 C30 C31 0.8(9) . .
C28 C29 C30 C32 -178.2(6) . .
C29 C30 C31 C26 -2.7(8) . .
C29 C30 C32 O25 13.7(7) . .
C29 C30 C32 O26 -167.3(5) . .
C30 C32 O25 Cu7 178.2(3) . .
C30 C32 O26 Cu8 -171.2(3) . .
C31 C26 C27 C28 -0.2(10) . .
C31 C30 C32 O25 -165.3(5) . .
C31 C30 C32 O26 13.7(7) . .
C32 C30 C31 C26 176.4(5) . .
C33 C34 C35 C36 -177.9(6) . .
C33 C34 C39 C38 177.2(5) . .
C34 C33 O11 Cu1 177.5(4) . .
C34 C33 O12 Cu2 179.7(4) . .
C34 C35 C36 C37 1.6(12) . .
C35 C34 C39 C38 -0.5(9) . .
C35 C36 C37 C38 -2.2(12) . .
C36 C37 C38 C39 1.4(11) . .
C36 C37 C38 C40 178.6(7) . .
C37 C38 C39 C34 -0.1(9) . .
C37 C38 C40 O17 -5.6(9) . .
C37 C38 C40 O18 172.5(6) . .
C38 C40 O17 Cu9 -177.6(4) . .
C38 C40 O18 Cu10 176.5(4) . .
C39 C34 C35 C36 -0.3(10) . .
C39 C38 C40 O17 171.7(5) . .
C39 C38 C40 O18 -10.3(9) . .
C40 C38 C39 C34 -177.3(5) . .
C41 C42 C43 C44 178.5(7) . .
C41 C42 C47 C46 -176.3(5) . .
C42 C41 O13 Cu1 -177.8(4) . .
C42 C41 O14 Cu2 175.3(4) . .
C42 C43 C44 C45 -1.2(14) . .
C43 C42 C47 C46 1.9(10) . .
C43 C44 C45 C46 0.0(14) . .
C44 C45 C46 C47 2.2(12) . .
C44 C45 C46 C48 -177.1(7) . .
C45 C46 C47 C42 -3.1(9) . .
C45 C46 C48 O45 2.3(9) . .
C45 C46 C48 O46 -177.1(6) . .
C46 C48 O45 Cu3 169.2(4) . .
C46 C48 O46 Cu4 -174.3(4) . .
C47 C42 C43 C44 0.3(12) . .
C47 C46 C48 O45 -177.0(5) . .
C47 C46 C48 O46 3.7(8) . .
C48 C46 C47 C42 176.2(5) . .
C49 C50 C51 C52 -177.7(8) . .
C49 C50 C55 C54 175.7(5) . .
C50 C49 O15 Cu1 179.0(4) . 2_665
C50 C49 O16 Cu2 -175.5(3) . 2_665
C50 C51 C52 C53 1.6(14) . .
C51 C50 C55 C54 -2.7(9) . .
C51 C52 C53 C54 -1.7(14) . .
C52 C53 C54 C55 -0.3(11) . .
C52 C53 C54 C56 177.9(7) . .
C53 C54 C55 C50 2.5(9) . .
C53 C54 C56 O39 -7.7(9) . .
C53 C54 C56 O40 170.7(6) . .
C54 C56 O39 Cu5 -177.0(4) . .
C54 C56 O40 Cu6 -178.9(4) . .
C55 C50 C51 C52 0.6(11) . .
C55 C54 C56 O39 170.6(5) . .
C55 C54 C56 O40 -11.0(8) . .
C56 C54 C55 C50 -175.8(5) . .
C57 C58 C59 C60 -177.3(9) . .
C57 C58 C63 C62 176.5(6) . .
C58 C57 O21 Cu9 174.5(5) . .
C58 C57 O22 Cu10 -176.7(4) . .
C58 C59 C60 C61 -0.4(16) . .
C59 C58 C63 C62 -2.4(11) . .
C59 C60 C61 C62 -0.1(16) . .
C60 C61 C62 C63 -0.7(13) . .
C60 C61 C62 C64 177.2(8) . .
C61 C62 C63 C58 2.0(10) . .
C61 C62 C64 O29 -2.8(9) . .
C61 C62 C64 O30 176.0(6) . .
C62 C64 O29 Cu7 -173.0(4) . .
C62 C64 O30 Cu8 -176.2(4) . .
C63 C58 C59 C60 1.6(14) . .
C63 C62 C64 O29 175.1(5) . .
C63 C62 C64 O30 -6.0(8) . .
C64 C62 C63 C58 -175.9(6) . .
C65 C66 C67 C68 -176.5(6) . .
C65 C66 C71 C70 175.7(5) . .
C66 C65 O23 Cu9 172.8(3) . .
C66 C65 O24 Cu10 -175.8(3) . .
C66 C67 C68 C69 1.0(10) . .
C67 C66 C71 C70 -2.4(8) . .
C67 C68 C69 C70 -2.7(11) . .
C68 C69 C70 C71 1.8(9) . .
C68 C69 C70 C72 179.0(6) . .
C69 C70 C71 C66 0.7(8) . .
C69 C70 C72 O35 -4.7(8) . .
C69 C70 C72 O36 175.1(5) . .
C70 C72 O35 Cu5 -179.2(3) . 2_665
C70 C72 O36 Cu6 177.8(3) . 2_665
C71 C66 C67 C68 1.5(9) . .
C71 C70 C72 O35 172.5(5) . .
C71 C70 C72 O36 -7.7(7) . .
C72 C70 C71 C66 -176.4(5) . .
C73 C74 C75 C76 -177.3(4) . .
C73 C74 C79 C78 175.4(4) . .
C74 C73 O27 Cu7 179.6(3) . .
C74 C73 O28 Cu8 -171.0(3) . .
C74 C75 C76 C77 0.0(7) . .
C75 C74 C79 C78 -2.3(7) . .
C75 C76 C77 C78 1.5(7) . .
C76 C77 C78 C79 -3.4(7) . .
C76 C77 C78 C80 176.6(4) . .
C77 C78 C79 C74 3.8(7) . .
C77 C78 C80 O41 -6.5(6) . .
C77 C78 C80 O42 174.8(4) . .
C78 C80 O41 Cu3 -178.0(3) . .
C78 C80 O42 Cu4 172.3(3) . .
C79 C74 C75 C76 0.4(7) . .
C79 C78 C80 O41 173.5(4) . .
C79 C78 C80 O42 -5.2(6) . .
C80 C78 C79 C74 -176.2(4) . .
C81 C82 C83 C84 175.5(7) . .
C81 C82 C87 C86 -177.5(5) . .
C82 C81 O31 Cu7 -169.5(3) . .
C82 C81 O32 Cu8 175.0(3) . .
C82 C83 C84 C85 2.3(14) . .
C83 C82 C87 C86 -1.1(8) . .
C83 C84 C85 C86 -1.7(15) . .
C84 C85 C86 C87 -0.3(13) . .
C84 C85 C86 C88 -177.8(8) . .
C85 C86 C87 C82 1.7(10) . .
C85 C86 C88 O33 3.0(10) . .
C85 C86 C88 O34 -175.9(7) . .
C86 C88 O33 Cu5 178.9(4) . .
C86 C88 O34 Cu6 -176.8(4) . .
C87 C82 C83 C84 -0.9(11) . .
C87 C86 C88 O33 -174.5(5) . .
C87 C86 C88 O34 6.6(8) . .
C88 C86 C87 C82 179.3(5) . .
C89 C90 C91 C92 179.6(5) . .
C89 C90 C95 C94 -177.0(4) . .
C90 C89 O37 Cu5 -177.9(3) . .
C90 C89 O38 Cu6 179.0(3) . .
C90 C91 C92 C93 -3.3(10) . .
C91 C90 C95 C94 0.2(8) . .
C91 C92 C93 C94 1.5(9) . .
C92 C93 C94 C95 1.0(8) . .
C92 C93 C94 C96 -176.8(5) . .
C93 C94 C95 C90 -1.9(7) . .
C93 C94 C96 O47 7.1(7) . .
C93 C94 C96 O48 -175.3(5) . .
C94 C96 O47 Cu3 170.5(3) . .
C94 C96 O48 Cu4 180.0(3) . .
C95 C90 C91 C92 2.4(9) . .
C95 C94 C96 O47 -170.6(4) . .
C95 C94 C96 O48 6.9(7) . .
C96 C94 C95 C90 175.9(4) . .
Cu1 Cu2 O12 C33 1.1(4) . .
Cu1 Cu2 O14 C41 4.7(4) . .
Cu1 Cu2 O105 C115 15(5) . .
Cu1 O101 C103 N2 -87.5(7) . .
Cu2 Cu1 O11 C33 3.6(4) . .
Cu2 Cu1 O13 C41 -0.5(4) . .
Cu2 O105 C115 N6A -147(3) . .
Cu2 O105 C115 N6B 180(2) . .
Cu2 O105 C115 N6C -110(2) . .
Cu2 O105 C115 O195 13E1(2) . .
Cu2 O195 C115 N6A -147(3) . .
Cu2 O195 C115 N6B -179.5(19) . .
Cu2 O195 C115 N6C -105.3(18) . .
Cu2 O195 C115 O105 -5E1(2) . .
Cu3 Cu4 O42 C80 6.5(3) . .
Cu3 Cu4 O44 C24 6.9(4) . .
Cu3 Cu4 O46 C48 0.4(4) . .
Cu3 Cu4 O48 C96 7.1(3) . .
Cu3 Cu4 O112 C136 13.2(11) . .
Cu3 O104 C112 N5 -163.8(4) . .
Cu4 Cu3 O41 C80 3.5(4) . .
Cu4 Cu3 O43 C24 5.7(3) . .
Cu4 Cu3 O45 C48 8.6(4) . .
Cu4 Cu3 O47 C96 9.1(3) . .
Cu4 Cu3 O104 C112 56.7(8) . .
Cu4 O112 C136 N13A 126(7) . .
Cu4 O112 C136 N13B -172.9(12) . .
Cu5 Cu6 O34 C88 -3.3(5) . .
Cu5 Cu6 O38 C89 0.0(4) . .
Cu5 Cu6 O40 C56 -2.3(4) . .
Cu5 Cu6 O123 N14 -6.6(17) . .
Cu5 Cu6 O123 O113 18E1(5) . .
Cu5 Cu6 O123 C139 -82(3) . .
Cu5 O114 C142 N15 -176.3(11) . .
Cu6 Cu5 O33 C88 -0.2(4) . .
Cu6 Cu5 O37 C89 -1.9(4) . .
Cu6 Cu5 O39 C56 -4.7(4) . .
Cu6 O113 O123 N14 -157(6) . .
Cu6 O113 O123 C139 -146.3(16) . .
Cu6 O113 C139 N14 38(2) . .
Cu6 O113 C139 O123 34.8(17) . .
Cu6 O113 C139 C151 71(4) . .
Cu6 O123 C139 N14 89(3) . .
Cu6 O123 C139 O113 -94(3) . .
Cu6 O123 C139 C151 101(3) . .
Cu7 Cu8 O26 C32 -8.1(4) . .
Cu7 Cu8 O28 C73 -9.9(4) . .
Cu7 Cu8 O30 C64 -7.8(4) . .
Cu7 Cu8 O32 C81 -1.8(4) . .
Cu7 O106 C118 N7 163.9(4) . .
Cu8 Cu7 O25 C32 -4.3(4) . .
Cu8 Cu7 O27 C73 -4.5(4) . .
Cu8 Cu7 O29 C64 -10.7(4) . .
Cu8 Cu7 O31 C81 -8.1(3) . .
Cu8 Cu7 O106 C118 12.2(8) . .
Cu8 O197 C160 C162 133(2) . .
Cu9 Cu10 O18 C40 3.4(5) . .
Cu9 Cu10 O20 C16 6.6(5) . .
Cu9 Cu10 O22 C57 -0.6(5) . .
Cu9 Cu10 O24 C65 0.1(4) . .
Cu10 Cu9 O17 C40 -1.3(5) . .
Cu10 Cu9 O19 C16 1.2(6) . .
Cu10 Cu9 O21 C57 4.2(5) . .
Cu10 Cu9 O23 C65 4.9(4) . .
Cu10 O111 C133 N12 -177.7(14) . .
Cu11 Cu12 O2 C1 -1.9(3) . .
Cu11 Cu12 O4 C9 -6.4(4) . .
Cu11 Cu12 O8 C25 -1.7(4) . .
Cu11 Cu12 O2WB C197 -13.6(18) . 2_665
Cu11 O102 C106 N3 -170.7(7) . .
Cu12 Cu11 O1 C1 -2.2(3) . .
Cu12 Cu11 O3 C9 3.1(4) . .
Cu12 Cu11 O7 C25 -3.6(4) . .
O1 C1 C2 C3 7.5(8) . .
O1 C1 C2 C7 -172.8(4) . .
O1 C1 O2 Cu12 0.9(6) . .
O1 Cu11 Cu12 O2 1.73(14) . .
O1 Cu11 Cu12 O4 -179.85(14) . .
O1 Cu11 Cu12 O6 -87.59(14) . 2_665
O1 Cu11 Cu12 O8 91.56(15) . .
O1 Cu11 Cu12 O2WA 128.4(11) . .
O1 Cu11 Cu12 O2WB -23.1(11) . .
O1 Cu11 O3 C9 -3.9(12) . .
O1 Cu11 O7 C25 -89.1(5) . .
O1 Cu11 O102 C106 153.1(5) . .
O2 C1 C2 C3 -171.8(6) . .
O2 C1 C2 C7 7.9(7) . .
O2 C1 O1 Cu11 1.5(6) . .
O2 Cu12 O4 C9 0.4(9) . .
O2 Cu12 O8 C25 81.6(4) . .
O2 Cu12 O2WB C197 -38.4(11) . 2_665
O3 C9 C10 C11 -0.6(10) . .
O3 C9 C10 C15 -174.5(6) . .
O3 C9 O4 Cu12 11.5(8) . .
O3 Cu11 Cu12 O2 -177.03(17) . .
O3 Cu11 Cu12 O4 1.39(17) . .
O3 Cu11 Cu12 O6 93.65(17) . 2_665
O3 Cu11 Cu12 O8 -87.20(18) . .
O3 Cu11 Cu12 O2WA -50.3(11) . .
O3 Cu11 Cu12 O2WB 158.2(11) . .
O3 Cu11 O1 C1 4.8(11) . .
O3 Cu11 O7 C25 81.0(5) . .
O3 Cu11 O102 C106 -27.9(5) . .
O4 C9 C10 C11 178.7(7) . .
O4 C9 C10 C15 4.8(9) . .
O4 C9 O3 Cu11 -9.5(8) . .
O4 Cu12 O2 C1 -8.8(9) . .
O4 Cu12 O8 C25 -85.4(4) . .
O4 Cu12 O2WB C197 142.0(11) . 2_665
O5 C17 C18 C19 1.8(6) . .
O5 C17 C18 C23 -175.1(4) . .
O5 C17 O6 Cu12 7.6(7) . 2_665
O5 Cu11 Cu12 O2 90.94(15) 2_665 .
O5 Cu11 Cu12 O4 -90.64(15) 2_665 .
O5 Cu11 Cu12 O6 1.62(15) 2_665 2_665
O5 Cu11 Cu12 O8 -179.23(16) 2_665 .
O5 Cu11 Cu12 O2WA -142.4(11) 2_665 .
O5 Cu11 Cu12 O2WB 66.1(11) 2_665 .
O5 Cu11 O1 C1 -86.1(3) 2_665 .
O5 Cu11 O3 C9 86.7(4) 2_665 .
O5 Cu11 O7 C25 -9.8(11) 2_665 .
O5 Cu11 O102 C106 63.7(5) 2_665 .
O6 C17 C18 C19 179.8(4) . .
O6 C17 C18 C23 3.0(6) . .
O6 C17 O5 Cu11 -9.8(7) . 2_665
O6 Cu12 O2 C1 82.7(4) 2_665 .
O6 Cu12 O4 C9 -90.7(4) 2_665 .
O6 Cu12 O8 C25 3.2(12) 2_665 .
O6 Cu12 O2WB C197 50.3(11) 2_665 2_665
O7 C25 C26 C27 -1.8(8) . .
O7 C25 C26 C31 176.7(5) . .
O7 C25 O8 Cu12 -0.6(8) . .
O7 Cu11 Cu12 O2 -87.63(17) . .
O7 Cu11 Cu12 O4 90.79(17) . .
O7 Cu11 Cu12 O6 -176.95(17) . 2_665
O7 Cu11 Cu12 O8 2.20(18) . .
O7 Cu11 Cu12 O2WA 39.1(11) . .
O7 Cu11 Cu12 O2WB -112.4(11) . .
O7 Cu11 O1 C1 81.0(3) . .
O7 Cu11 O3 C9 -80.1(4) . .
O7 Cu11 O102 C106 -116.9(5) . .
O8 C25 C26 C27 177.4(6) . .
O8 C25 C26 C31 -4.1(8) . .
O8 C25 O7 Cu11 3.7(9) . .
O8 Cu12 O2 C1 -87.5(4) . .
O8 Cu12 O4 C9 79.3(4) . .
O8 Cu12 O2WB C197 -126.8(11) . 2_665
O9 C8 O10 Cu2 -4.1(8) . 2_665
O9 Cu1 Cu2 O10 -3.12(18) 2_665 2_665
O9 Cu1 Cu2 O12 177.69(18) 2_665 .
O9 Cu1 Cu2 O14 -91.93(18) 2_665 .
O9 Cu1 Cu2 O16 87.35(18) 2_665 2_665
O9 Cu1 Cu2 O105 121(3) 2_665 .
O9 Cu1 O11 C33 2.0(11) 2_665 .
O9 Cu1 O13 C41 82.9(5) 2_665 .
O9 Cu1 O101 C103 116.5(5) 2_665 .
O10 C8 O9 Cu1 8.5(8) . 2_665
O10 Cu2 O12 C33 -3.3(12) 2_665 .
O10 Cu2 O14 C41 -80.5(4) 2_665 .
O10 Cu2 O105 C115 138.0(18) 2_665 .
O10 Cu2 O195 C115 134.7(7) 2_665 .
O11 C33 C34 C35 4.1(8) . .
O11 C33 C34 C39 -173.5(5) . .
O11 C33 O12 Cu2 1.4(8) . .
O11 Cu1 Cu2 O10 177.22(17) . 2_665
O11 Cu1 Cu2 O12 -1.97(18) . .
O11 Cu1 Cu2 O14 88.42(18) . .
O11 Cu1 Cu2 O16 -92.31(17) . 2_665
O11 Cu1 Cu2 O105 -58(3) . .
O11 Cu1 O13 C41 -84.7(5) . .
O11 Cu1 O101 C103 -63.4(5) . .
O12 C33 C34 C35 -174.4(6) . .
O12 C33 C34 C39 8.0(8) . .
O12 C33 O11 Cu1 -4.1(8) . .
O12 Cu2 O14 C41 89.1(4) . .
O12 Cu2 O105 C115 -40.7(19) . .
O12 Cu2 O195 C115 -45.2(7) . .
O13 C41 C42 C43 -5.3(9) . .
O13 C41 C42 C47 172.9(5) . .
O13 C41 O14 Cu2 -7.1(8) . .
O13 Cu1 Cu2 O10 86.99(18) . 2_665
O13 Cu1 Cu2 O12 -92.20(19) . .
O13 Cu1 Cu2 O14 -1.81(18) . .
O13 Cu1 Cu2 O16 177.47(17) . 2_665
O13 Cu1 Cu2 O105 -149(3) . .
O13 Cu1 O11 C33 87.8(4) . .
O13 Cu1 O101 C103 26.6(5) . .
O14 C41 C42 C43 172.5(6) . .
O14 C41 C42 C47 -9.3(8) . .
O14 C41 O13 Cu1 4.6(9) . .
O14 Cu2 O12 C33 -83.0(4) . .
O14 Cu2 O105 C115 -129.9(18) . .
O14 Cu2 O195 C115 -135.4(7) . .
O15 C49 C50 C51 12.0(8) . .
O15 C49 C50 C55 -166.4(5) . .
O15 C49 O16 Cu2 6.0(8) . 2_665
O15 Cu1 Cu2 O10 -92.91(17) 2_665 2_665
O15 Cu1 Cu2 O12 87.90(18) 2_665 .
O15 Cu1 Cu2 O14 178.29(18) 2_665 .
O15 Cu1 Cu2 O16 -2.43(17) 2_665 2_665
O15 Cu1 Cu2 O105 31(3) 2_665 .
O15 Cu1 O11 C33 -82.7(4) 2_665 .
O15 Cu1 O101 C103 -153.4(5) 2_665 .
O16 C49 C50 C51 -166.7(6) . .
O16 C49 C50 C55 15.0(8) . .
O16 C49 O15 Cu1 -2.5(8) . 2_665
O16 Cu2 O12 C33 83.3(4) 2_665 .
O16 Cu2 O14 C41 1.7(10) 2_665 .
O16 Cu2 O105 C115 49.0(19) 2_665 .
O16 Cu2 O195 C115 44.4(8) 2_665 .
O17 C40 O18 Cu10 -5.7(9) . .
O17 Cu9 Cu10 O18 -0.9(2) . .
O17 Cu9 Cu10 O20 178.73(19) . .
O17 Cu9 Cu10 O22 -91.49(19) . .
O17 Cu9 Cu10 O24 88.1(2) . .
O17 Cu9 O19 C16 12.2(17) . .
O17 Cu9 O21 C57 87.6(6) . .
O17 Cu9 O23 C65 -78.5(4) . .
O18 C40 O17 Cu9 4.6(9) . .
O18 Cu10 O20 C16 8.0(12) . .
O18 Cu10 O22 C57 -85.4(5) . .
O18 Cu10 O24 C65 85.1(5) . .
O18 Cu10 O111 C133 -136.7(7) . .
O19 C16 O20 Cu10 -8.3(10) . .
O19 Cu9 Cu10 O18 177.2(2) . .
O19 Cu9 Cu10 O20 -3.2(2) . .
O19 Cu9 Cu10 O22 86.6(2) . .
O19 Cu9 Cu10 O24 -93.8(2) . .
O19 Cu9 O17 C40 -12.3(15) . .
O19 Cu9 O21 C57 -82.8(6) . .
O19 Cu9 O23 C65 91.5(5) . .
O20 C16 O19 Cu9 3.5(10) . .
O20 Cu10 O18 C40 2.0(12) . .
O20 Cu10 O22 C57 80.5(5) . .
O20 Cu10 O24 C65 -80.9(5) . .
O20 Cu10 O111 C133 42.3(7) . .
O21 C57 C58 C59 6.9(11) . .
O21 C57 C58 C63 -172.1(6) . .
O21 C57 O22 Cu10 4.2(10) . .
O21 Cu9 Cu10 O18 89.1(2) . .
O21 Cu9 Cu10 O20 -91.3(2) . .
O21 Cu9 Cu10 O22 -1.5(2) . .
O21 Cu9 Cu10 O24 178.2(2) . .
O21 Cu9 O17 C40 -84.4(5) . .
O21 Cu9 O19 C16 84.4(6) . .
O21 Cu9 O23 C65 5.8(10) . .
O22 C57 C58 C59 -172.4(7) . .
O22 C57 C58 C63 8.7(10) . .
O22 C57 O21 Cu9 -6.3(10) . .
O22 Cu10 O18 C40 87.8(5) . .
O22 Cu10 O20 C16 -78.1(5) . .
O22 Cu10 O111 C133 -46.6(7) . .
O23 C65 C66 C67 6.3(8) . .
O23 C65 C66 C71 -171.8(5) . .
O23 C65 O24 Cu10 3.8(8) . .
O23 Cu9 Cu10 O18 -91.1(2) . .
O23 Cu9 Cu10 O20 88.52(19) . .
O23 Cu9 Cu10 O22 178.29(19) . .
O23 Cu9 Cu10 O24 -2.08(19) . .
O23 Cu9 O17 C40 80.6(5) . .
O23 Cu9 O19 C16 -80.5(6) . .
O23 Cu9 O21 C57 3.3(12) . .
O24 C65 C66 C67 -174.0(5) . .
O24 C65 C66 C71 7.9(7) . .
O24 C65 O23 Cu9 -6.8(8) . .
O24 Cu10 O18 C40 -82.9(5) . .
O24 Cu10 O20 C16 92.7(5) . .
O24 Cu10 O111 C133 132.6(7) . .
O25 C32 O26 Cu8 7.7(7) . .
O25 Cu7 Cu8 O26 5.24(16) . .
O25 Cu7 Cu8 O28 -174.46(16) . .
O25 Cu7 Cu8 O30 -83.82(16) . .
O25 Cu7 Cu8 O32 95.67(16) . .
O25 Cu7 Cu8 O117 133.0(7) . .
O25 Cu7 O27 C73 -6.5(9) . .
O25 Cu7 O29 C64 69.3(4) . .
O25 Cu7 O31 C81 -88.2(3) . .
O25 Cu7 O106 C118 53.3(4) . .
O26 C32 O25 Cu7 -0.8(7) . .
O26 Cu8 O30 C64 -96.2(4) . .
O26 Cu8 O32 C81 86.4(4) . .
O26 Cu8 O197 C160 126.4(5) . .
O27 C73 C74 C75 4.2(7) . .
O27 C73 C74 C79 -173.5(4) . .
O27 C73 O28 Cu8 10.1(8) . .
O27 Cu7 Cu8 O26 -174.27(17) . .
O27 Cu7 Cu8 O28 6.03(17) . .
O27 Cu7 Cu8 O30 96.67(17) . .
O27 Cu7 Cu8 O32 -83.84(16) . .
O27 Cu7 Cu8 O117 -46.5(7) . .
O27 Cu7 O25 C32 -2.2(9) . .
O27 Cu7 O29 C64 -96.7(4) . .
O27 Cu7 O31 C81 77.9(3) . .
O27 Cu7 O106 C118 -125.4(4) . .
O28 C73 C74 C75 -174.8(4) . .
O28 C73 C74 C79 7.5(7) . .
O28 C73 O27 Cu7 -1.6(7) . .
O28 Cu8 O30 C64 74.5(4) . .
O28 Cu8 O32 C81 -84.2(4) . .
O28 Cu8 O197 C160 -54.6(6) . .
O29 C64 O30 Cu8 2.5(7) . .
O29 Cu7 Cu8 O26 96.78(17) . .
O29 Cu7 Cu8 O28 -82.92(16) . .
O29 Cu7 Cu8 O30 7.72(16) . .
O29 Cu7 Cu8 O32 -172.79(16) . .
O29 Cu7 Cu8 O117 -135.4(7) . .
O29 Cu7 O25 C32 -87.1(4) . .
O29 Cu7 O27 C73 78.5(4) . .
O29 Cu7 O106 C118 -37.0(4) . .
O30 C64 O29 Cu7 8.4(8) . .
O30 Cu8 O26 C32 76.8(4) . .
O30 Cu8 O28 C73 -94.6(4) . .
O30 Cu8 O32 C81 0.2(9) . .
O30 Cu8 O197 C160 -144.6(5) . .
O31 C81 C82 C83 -0.4(8) . .
O31 C81 C82 C87 176.0(4) . .
O31 C81 O32 Cu8 -4.2(7) . .
O31 Cu7 Cu8 O26 -86.18(15) . .
O31 Cu7 Cu8 O28 94.12(15) . .
O31 Cu7 Cu8 O30 -175.25(14) . .
O31 Cu7 Cu8 O32 4.24(14) . .
O31 Cu7 Cu8 O117 41.6(7) . .
O31 Cu7 O25 C32 83.3(4) . .
O31 Cu7 O27 C73 -92.4(4) . .
O31 Cu7 O106 C118 144.6(4) . .
O32 C81 C82 C83 -179.6(5) . .
O32 C81 C82 C87 -3.2(7) . .
O32 C81 O31 Cu7 9.7(6) . .
O32 Cu8 O26 C32 -88.6(4) . .
O32 Cu8 O28 C73 70.7(4) . .
O32 Cu8 O30 C64 -9.8(9) . .
O32 Cu8 O197 C160 34.6(6) . .
O33 C88 O34 Cu6 4.4(9) . .
O33 Cu5 Cu6 O34 1.40(19) . .
O33 Cu5 Cu6 O36 -178.85(18) . 2_665
O33 Cu5 Cu6 O38 -88.33(18) . .
O33 Cu5 Cu6 O40 92.27(19) . .
O33 Cu5 Cu6 O123 -37.3(11) . .
O33 Cu5 O37 C89 84.9(4) . .
O33 Cu5 O39 C56 -91.6(5) . .
O33 Cu5 O114 C142 -168.6(7) . .
O34 C88 O33 Cu5 -2.3(8) . .
O34 Cu6 O38 C89 -81.8(4) . .
O34 Cu6 O40 C56 79.4(4) . .
O34 Cu6 O113 O12W 133.5(10) . 2_665
O34 Cu6 O113 O123 -41.0(9) . .
O34 Cu6 O113 C139 -62.8(10) . .
O34 Cu6 O123 N14 -44.9(9) . .
O34 Cu6 O123 O113 140.6(9) . .
O34 Cu6 O123 C139 -120(3) . .
O35 C72 O36 Cu6 -2.4(7) . 2_665
O35 Cu5 Cu6 O34 -178.69(18) 2_665 .
O35 Cu5 Cu6 O36 1.06(17) 2_665 2_665
O35 Cu5 Cu6 O38 91.58(17) 2_665 .
O35 Cu5 Cu6 O40 -87.82(17) 2_665 .
O35 Cu5 Cu6 O123 142.6(11) 2_665 .
O35 Cu5 O33 C88 -0.6(12) 2_665 .
O35 Cu5 O37 C89 -83.9(4) 2_665 .
O35 Cu5 O39 C56 77.2(5) 2_665 .
O35 Cu5 O114 C142 11.0(7) 2_665 .
O36 C72 O35 Cu5 1.0(8) . 2_665
O36 Cu6 O34 C88 -4.5(12) 2_665 .
O36 Cu6 O38 C89 86.3(4) 2_665 .
O36 Cu6 O40 C56 -88.8(4) 2_665 .
O36 Cu6 O113 O12W -45.1(10) 2_665 2_665
O36 Cu6 O113 O123 140.5(9) 2_665 .
O36 Cu6 O113 C139 118.7(10) 2_665 .
O36 Cu6 O123 N14 133.7(9) 2_665 .
O36 Cu6 O123 O113 -40.8(9) 2_665 .
O36 Cu6 O123 C139 58(3) 2_665 .
O37 C89 C90 C91 -6.5(8) . .
O37 C89 C90 C95 170.7(5) . .
O37 C89 O38 Cu6 -1.6(8) . .
O37 Cu5 Cu6 O34 90.50(17) . .
O37 Cu5 Cu6 O36 -89.75(17) . 2_665
O37 Cu5 Cu6 O38 0.78(17) . .
O37 Cu5 Cu6 O40 -178.63(17) . .
O37 Cu5 Cu6 O123 51.8(11) . .
O37 Cu5 O33 C88 -84.3(5) . .
O37 Cu5 O39 C56 -12.3(12) . .
O37 Cu5 O114 C142 101.4(7) . .
O38 C89 C90 C91 172.9(5) . .
O38 C89 C90 C95 -9.8(7) . .
O38 C89 O37 Cu5 2.7(8) . .
O38 Cu6 O34 C88 81.0(5) . .
O38 Cu6 O40 C56 -5.4(12) . .
O38 Cu6 O113 O12W -134.7(10) . 2_665
O38 Cu6 O113 O123 50.9(9) . .
O38 Cu6 O113 C139 29.1(10) . .
O38 Cu6 O123 N14 44.0(9) . .
O38 Cu6 O123 O113 -130.4(9) . .
O38 Cu6 O123 C139 -31(3) . .
O39 C56 O40 Cu6 -0.6(8) . .
O39 Cu5 Cu6 O34 -87.90(19) . .
O39 Cu5 Cu6 O36 91.85(18) . 2_665
O39 Cu5 Cu6 O38 -177.63(18) . .
O39 Cu5 Cu6 O40 2.97(18) . .
O39 Cu5 Cu6 O123 -126.6(11) . .
O39 Cu5 O33 C88 83.7(5) . .
O39 Cu5 O37 C89 5.6(11) . .
O39 Cu5 O114 C142 -79.2(7) . .
O40 C56 O39 Cu5 4.7(8) . .
O40 Cu6 O34 C88 -87.9(5) . .
O40 Cu6 O38 C89 3.1(11) . .
O40 Cu6 O113 O12W 43.5(10) . 2_665
O40 Cu6 O113 O123 -130.9(9) . .
O40 Cu6 O113 C139 -152.8(10) . .
O40 Cu6 O123 N14 -134.6(9) . .
O40 Cu6 O123 O113 50.9(9) . .
O40 Cu6 O123 C139 150(3) . .
O41 C80 O42 Cu4 -6.3(6) . .
O41 Cu3 Cu4 O42 -4.27(14) . .
O41 Cu3 Cu4 O44 174.87(15) . .
O41 Cu3 Cu4 O46 -95.02(15) . .
O41 Cu3 Cu4 O48 84.51(15) . .
O41 Cu3 Cu4 O112 -152.9(8) . .
O41 Cu3 O45 C48 89.9(4) . .
O41 Cu3 O47 C96 -72.3(3) . .
O41 Cu3 O104 C112 26.0(4) . .
O42 C80 O41 Cu3 0.6(7) . .
O42 Cu4 O44 C24 10.4(9) . .
O42 Cu4 O46 C48 -86.5(4) . .
O42 Cu4 O48 C96 94.2(4) . .
O42 Cu4 O112 C136 -134.6(6) . .
O43 C24 O44 Cu4 -4.9(7) . .
O43 Cu3 Cu4 O42 175.63(15) . .
O43 Cu3 Cu4 O44 -5.23(16) . .
O43 Cu3 Cu4 O46 84.88(16) . .
O43 Cu3 Cu4 O48 -95.59(15) . .
O43 Cu3 Cu4 O112 27.0(8) . .
O43 Cu3 O45 C48 -81.1(4) . .
O43 Cu3 O47 C96 98.8(3) . .
O43 Cu3 O104 C112 -154.7(4) . .
O44 C24 O43 Cu3 -2.5(7) . .
O44 Cu4 O42 C80 3.1(8) . .
O44 Cu4 O46 C48 79.2(4) . .
O44 Cu4 O48 C96 -71.7(4) . .
O44 Cu4 O112 C136 44.8(6) . .
O45 C48 O46 Cu4 6.5(8) . .
O45 Cu3 Cu4 O42 86.92(16) . .
O45 Cu3 Cu4 O44 -93.94(16) . .
O45 Cu3 Cu4 O46 -3.83(16) . .
O45 Cu3 Cu4 O48 175.70(16) . .
O45 Cu3 Cu4 O112 -61.7(8) . .
O45 Cu3 O41 C80 -81.1(4) . .
O45 Cu3 O43 C24 90.5(4) . .
O45 Cu3 O47 C96 19.3(8) . .
O45 Cu3 O104 C112 -64.2(4) . .
O46 C48 O45 Cu3 -11.5(8) . .
O46 Cu4 O42 C80 90.1(3) . .
O46 Cu4 O44 C24 -76.8(4) . .
O46 Cu4 O112 C136 -44.1(6) . .
O47 C96 O48 Cu4 -2.7(6) . .
O47 Cu3 Cu4 O42 -95.53(14) . .
O47 Cu3 Cu4 O44 83.60(15) . .
O47 Cu3 Cu4 O46 173.71(14) . .
O47 Cu3 Cu4 O48 -6.75(14) . .
O47 Cu3 Cu4 O112 115.9(8) . .
O47 Cu3 O41 C80 84.9(4) . .
O47 Cu3 O43 C24 -75.8(4) . .
O47 Cu3 O45 C48 -1.6(9) . .
O47 Cu3 O104 C112 116.0(4) . .
O48 C96 O47 Cu3 -6.8(6) . .
O48 Cu4 O42 C80 -80.2(3) . .
O48 Cu4 O44 C24 93.5(4) . .
O48 Cu4 O112 C136 134.8(6) . .
O2WA Cu12 O2 C1 -173.4(4) . .
O2WA Cu12 O4 C9 165.4(4) . .
O2WA Cu12 O8 C25 -175.4(5) . .
O2WA Cu12 O2WB C197 179.3(16) . 2_665
O2WB Cu12 O2 C1 172.6(4) . .
O2WB Cu12 O4 C9 178.9(4) . .
O2WB Cu12 O8 C25 166.3(5) . .
O2WB C197 C138 N13A 166(7) 2_665 .
O2WB C197 C138 N13B 174(8) 2_665 .
O10W Cu9 O17 C40 179.5(5) . .
O10W Cu9 O19 C16 -179.7(6) . .
O10W Cu9 O21 C57 -179.2(5) . .
O10W Cu9 O23 C65 -171.7(4) . .
O12W O113 O123 Cu6 -156(7) 2_665 .
O12W O113 O123 N14 47(11) 2_665 .
O12W O113 O123 C139 58(7) 2_665 .
O12W O113 C139 N14 -162.4(18) 2_665 .
O12W O113 C139 O123 -166(2) 2_665 .
O12W O113 C139 C151 -129(3) 2_665 .
O13W C134 C195 N12 67(5) . .
C101 N1 C100 O100 -10(3) . .
C102 N1 C100 O100 175.9(17) . .
O101 Cu1 O11 C33 -178.5(4) . .
O101 Cu1 O13 C41 -179.7(5) . .
C104 N2 C103 O101 1.2(10) . .
C105 N2 C103 O101 -176.2(7) . .
O102 Cu11 O1 C1 179.1(3) . .
O102 Cu11 O3 C9 -178.3(4) . .
O102 Cu11 O7 C25 173.0(5) . .
C107 N3 C106 O102 -2.7(15) . .
C108 N3 C106 O102 176.0(12) . .
C110 N4 C109 O103 0.1(14) . .
C111 N4 C109 O103 -175.1(9) . .
O104 Cu3 Cu4 O42 -35.3(6) . .
O104 Cu3 Cu4 O44 143.8(6) . .
O104 Cu3 Cu4 O46 -126.1(6) . .
O104 Cu3 Cu4 O48 53.5(6) . .
O104 Cu3 Cu4 O112 176.1(9) . .
O104 Cu3 O41 C80 178.0(4) . .
O104 Cu3 O43 C24 -168.7(3) . .
O104 Cu3 O45 C48 179.3(4) . .
O104 Cu3 O47 C96 -161.6(4) . .
C113 N5 C112 O104 179.3(6) . .
C114 N5 C112 O104 1.1(9) . .
N6A C116 C186 O8WA -104(7) . 2_665
N6A C116 C186 N6C 0(5) . .
N6A C196 C117 O12W 70(6) . .
N6A C196 C117 N6B -10(2) . .
N6B C116 C186 O8WA -89(6) . 2_665
N6B C116 C186 N6C 15(4) . .
N6B C196 C117 O12W 80(6) . .
N6B C196 C117 N6A 10(3) . .
N6C C116 C186 O8WA -104(6) . 2_665
O105 Cu2 O12 C33 169.8(8) . .
O105 Cu2 O14 C41 177.0(8) . .
O105 Cu2 O195 C115 15(7) . .
O195 Cu2 O12 C33 176.4(5) . .
O195 Cu2 O14 C41 -179.0(5) . .
O195 Cu2 O105 C115 -161(9) . .
C115 N6A C116 N6B -85(6) . .
C115 N6A C116 N6C 29(5) . .
C115 N6A C116 C186 28(9) . .
C115 N6A C196 N6B 53(4) . .
C115 N6A C196 C117 -161(4) . .
C115 N6A C117 O12W -139(5) . .
C115 N6A C117 N6B 46(3) . .
C115 N6A C117 C196 24(5) . .
C115 N6B C116 N6A 71(4) . .
C115 N6B C116 N6C 12(3) . .
C115 N6B C116 C186 -2(5) . .
C115 N6B C196 N6A -104(6) . .
C115 N6B C196 C117 -134(3) . .
C115 N6B C117 O12W -82(4) . .
C115 N6B C117 N6A -76(5) . .
C115 N6B C117 C196 79(4) . .
C115 N6C C116 N6A -27(4) . .
C115 N6C C116 N6B -12(3) . .
C115 N6C C116 C186 153(4) . .
C115 N6C C186 O8WA 59(11) . 2_665
C115 N6C C186 C116 -82(9) . .
C116 N6A C115 N6B 126(10) . .
C116 N6A C115 N6C -31(6) . .
C116 N6A C115 O105 14(8) . .
C116 N6A C115 O195 20(8) . .
C116 N6A C196 N6B -98(12) . .
C116 N6A C196 C117 48(7) . .
C116 N6A C117 O12W 45(5) . .
C116 N6A C117 N6B -130(9) . .
C116 N6A C117 C196 -152(6) . .
C116 N6B C115 N6A -32(5) . .
C116 N6B C115 N6C -12(3) . .
C116 N6B C115 O105 58(4) . .
C116 N6B C115 O195 62(3) . .
C116 N6B C196 N6A 41(6) . .
C116 N6B C196 C117 11(5) . .
C116 N6B C117 O12W 27(3) . .
C116 N6B C117 N6A 32(5) . .
C116 N6B C117 C196 -173(3) . .
C116 N6C C115 N6A 26(4) . .
C116 N6C C115 N6B 16(4) . .
C116 N6C C115 O105 -119(4) . .
C116 N6C C115 O195 -115(3) . .
C116 N6C C186 O8WA 141(6) . 2_665
C186 N6C C115 N6A 96(10) . .
C186 N6C C115 N6B 86(9) . .
C186 N6C C115 O105 -49(9) . .
C186 N6C C115 O195 -45(9) . .
C186 N6C C116 N6A -180(5) . .
C186 N6C C116 N6B -165(4) . .
C196 N6A C115 N6B -35(3) . .
C196 N6A C115 N6C 168(4) . .
C196 N6A C115 O105 -146(2) . .
C196 N6A C115 O195 -140.7(14) . .
C196 N6A C116 N6B 61(9) . .
C196 N6A C116 N6C 174(9) . .
C196 N6A C116 C186 174(6) . .
C196 N6A C117 O12W -163(2) . .
C196 N6A C117 N6B 22(5) . .
C196 N6B C115 N6A 125(6) . .
C196 N6B C115 N6C 145(3) . .
C196 N6B C115 O105 -145(3) . .
C196 N6B C115 O195 -140.5(19) . .
C196 N6B C116 N6A -78(6) . .
C196 N6B C116 N6C -136(4) . .
C196 N6B C116 C186 -151(4) . .
C196 N6B C117 O12W -160(2) . .
C196 N6B C117 N6A -155(5) . .
C117 N6A C115 N6B -50(3) . .
C117 N6A C115 N6C 153(7) . .
C117 N6A C115 O105 -161(4) . .
C117 N6A C115 O195 -156(3) . .
C117 N6A C116 N6B 91(6) . .
C117 N6A C116 N6C -155(6) . .
C117 N6A C116 C186 -155(5) . .
C117 N6A C196 N6B -146(7) . .
C117 N6B C115 N6A 74(5) . .
C117 N6B C115 N6C 94(4) . .
C117 N6B C115 O105 163(3) . .
C117 N6B C115 O195 168(2) . .
C117 N6B C116 N6A -70(4) . .
C117 N6B C116 N6C -128(3) . .
C117 N6B C116 C186 -143(5) . .
C117 N6B C196 N6A 30(6) . .
O106 Cu7 Cu8 O26 47.1(5) . .
O106 Cu7 Cu8 O28 -132.6(5) . .
O106 Cu7 Cu8 O30 -42.0(5) . .
O106 Cu7 Cu8 O32 137.5(5) . .
O106 Cu7 Cu8 O117 174.9(8) . .
O106 Cu7 O25 C32 -176.8(4) . .
O106 Cu7 O27 C73 168.0(4) . .
O106 Cu7 O29 C64 160.9(4) . .
O106 Cu7 O31 C81 -179.9(3) . .
C119 N7 C118 O106 -172.6(6) . .
C120 N7 C118 O106 2.1(9) . .
C121 N8 C123 O107 -7(3) . .
C122 N8 C123 O107 177(2) . .
C124 N9 C125 O108 -1(4) . .
C126 N9 C125 O108 180(2) . .
C128 N10 C127 O109 163(4) . .
C128 N10 C127 O199 -7(4) . .
C129 N10 C127 O109 -14(5) . .
C129 N10 C127 O199 176(2) . .
C131 N11 C130 O110 177.4(11) . .
C132 N11 C130 O110 -24(2) . .
C192 N11 C130 O110 39(3) . .
O111 Cu10 O18 C40 177.8(5) . .
O111 Cu10 O20 C16 -168.0(5) . .
O111 Cu10 O22 C57 172.4(5) . .
O111 Cu10 O24 C65 -172.8(5) . .
C133 N12 C134 O13W -81(2) . .
C133 N12 C134 C195 75(3) . .
C133 N12 C195 C134 -132.5(17) . .
C134 N12 C133 O111 165.4(16) . .
C135 N12 C133 O111 -15(3) . .
C135 N12 C134 O13W 100(2) . .
C135 N12 C134 C195 -104(3) . .
C135 N12 C195 C134 96(2) . .
C195 N12 C133 O111 -145.0(17) . .
C195 N12 C134 O13W -156(2) . .
N13B C197 C138 N13A -8(5) . .
O112 Cu4 O42 C80 -179.3(3) . .
O112 Cu4 O44 C24 -167.3(4) . .
O112 Cu4 O46 C48 171.2(4) . .
O112 Cu4 O48 C96 -163.6(4) . .
C136 N13A C138 N13B -39(5) . .
C136 N13A C138 C197 -29(10) . .
C136 N13B C197 O2WB -88(3) . 2_665
C136 N13B C197 C138 89(3) . .
C136 N13B C138 N13A 38(5) . .
C136 N13B C138 C197 -132(2) . .
C137 N13B C136 N13A 125(6) . .
C137 N13B C136 O112 -7(3) . .
C137 N13B C197 O2WB 60(3) . 2_665
C137 N13B C197 C138 -123(2) . .
C137 N13B C138 N13A -123(6) . .
C137 N13B C138 C197 67(3) . .
C197 N13B C136 N13A -94(6) . .
C197 N13B C136 O112 135(2) . .
C197 N13B C138 N13A 170(6) . .
C138 N13A C136 N13B 42(6) . .
C138 N13A C136 O112 136(6) . .
C138 N13B C136 N13A -36(6) . .
C138 N13B C136 O112 -167.5(17) . .
C138 N13B C197 O2WB -177(4) . 2_665
N14 O123 C139 O113 177.3(14) . .
N14 O123 C139 C151 12.3(14) . .
N14 C139 C151 C140 -47(2) . .
N14 C139 C151 N18 94(3) . .
N14 C139 C151 C161 143(2) . .
N14 C139 C151 C162 -42(5) . .
N14 C140 C151 C139 31.0(13) . .
N14 C140 C151 N18 -126.2(17) . .
N14 C140 C151 C161 -167(4) . .
N14 C140 C151 C162 -147(3) . .
N14 C140 N18 C151 43.5(16) . .
N14 C140 C162 C151 52(4) . .
N14 C140 C162 C160 -2(6) . .
N14 C151 N18 C140 -86(2) . .
N14 C151 C162 C140 -39(3) . .
N14 C151 C162 C160 93(2) . .
O113 Cu6 O34 C88 -177.4(5) . .
O113 Cu6 O38 C89 173.5(5) . .
O113 Cu6 O40 C56 -176.0(5) . .
O113 Cu6 O123 N14 174.5(15) . .
O113 Cu6 O123 C139 99(3) . .
O113 O12W C117 N6A -121(4) 2_665 .
O113 O12W C117 N6B -119(3) 2_665 .
O113 O12W C117 C196 170(5) 2_665 .
O113 O123 C139 N14 -177.3(14) . .
O113 O123 C139 C151 -165.0(14) . .
O113 C139 C151 N14 -45(4) . .
O113 C139 C151 C140 -92(4) . .
O113 C139 C151 N18 50(5) . .
O113 C139 C151 C161 99(4) . .
O113 C139 C151 C162 -87(6) . .
O123 Cu6 O34 C88 169.0(5) . .
O123 Cu6 O38 C89 -170.3(5) . .
O123 Cu6 O40 C56 167.8(5) . .
O123 Cu6 O113 O12W 174.4(16) . 2_665
O123 Cu6 O113 C139 -21.8(11) . .
O123 N14 C139 O113 -2.0(10) . .
O123 N14 C139 C151 -164.2(18) . .
O123 N14 C140 C151 -58(4) . .
O123 N14 C140 N18 -98(4) . .
O123 N14 C140 C162 -122(5) . .
O123 N14 C151 C139 10.3(12) . .
O123 N14 C151 C140 151(2) . .
O123 N14 C151 N18 -120(2) . .
O123 N14 C151 C161 -38(3) . .
O123 N14 C151 C162 175(2) . .
O123 O113 C139 N14 3.1(16) . .
O123 O113 C139 C151 36(3) . .
O123 C139 C151 N14 -18(2) . .
O123 C139 C151 C140 -65(3) . .
O123 C139 C151 N18 76(3) . .
O123 C139 C151 C161 125(2) . .
O123 C139 C151 C162 -61(6) . .
C139 N14 O123 Cu6 -144.2(17) . .
C139 N14 O123 O113 11(6) . .
C139 N14 C140 C151 -47(2) . .
C139 N14 C140 N18 -87.1(19) . .
C139 N14 C140 C162 -111(5) . .
C139 N14 C151 C140 141(2) . .
C139 N14 C151 N18 -130(2) . .
C139 N14 C151 C161 -48(2) . .
C139 N14 C151 C162 165(2) . .
C139 O113 O123 Cu6 146.3(16) . .
C139 O113 O123 N14 -11(6) . .
C139 C151 N18 C140 -147(3) . .
C139 C151 C162 C140 -6(6) . .
C139 C151 C162 C160 126(5) . .
C140 N14 O123 Cu6 -126(3) . .
C140 N14 O123 O113 29(9) . .
C140 N14 O123 C139 18(4) . .
C140 N14 C139 O113 -172.3(16) . .
C140 N14 C139 O123 -170(2) . .
C140 N14 C139 C151 25.4(13) . .
C140 N14 C151 C139 -141(2) . .
C140 N14 C151 N18 89(3) . .
C140 N14 C151 C161 171(3) . .
C140 N14 C151 C162 24(2) . .
C140 C151 C162 C160 132(3) . .
C141 N14 O123 Cu6 68(6) . .
C141 N14 O123 O113 -136(9) . .
C141 N14 O123 C139 -147(6) . .
C141 N14 C139 O113 35(7) . .
C141 N14 C139 O123 37(7) . .
C141 N14 C139 C151 -127(7) . .
C141 N14 C140 C151 105(7) . .
C141 N14 C140 N18 65(7) . .
C141 N14 C140 C162 41(9) . .
C141 N14 C151 C139 124(5) . .
C141 N14 C151 C140 -95(5) . .
C141 N14 C151 N18 -6(5) . .
C141 N14 C151 C161 76(5) . .
C141 N14 C151 C162 -71(5) . .
C151 N14 O123 Cu6 -163.4(16) . .
C151 N14 O123 O113 -8(7) . .
C151 N14 O123 C139 -19(2) . .
C151 N14 C139 O113 162.2(16) . .
C151 N14 C139 O123 164.2(18) . .
C151 N14 C140 N18 -40.1(16) . .
C151 N14 C140 C162 -64(5) . .
C151 C140 C162 C160 -54(3) . .
O114 Cu5 O33 C88 177.3(5) . .
O114 Cu5 O37 C89 -177.0(4) . .
O114 Cu5 O39 C56 170.4(5) . .
C143 N15 C142 O114 -4(2) . .
C144 N15 C142 O114 171.4(14) . .
C145 N16 C146 O115 -21(2) . .
C146 N16 C145 O185 5(2) . .
C147 N16 C145 O185 -178.5(15) . .
C147 N16 C146 O115 162.7(15) . .
C149 N17 C148 O116 179.1(15) . .
C150 N17 C148 O116 3(3) . .
N18 C140 C151 N14 126.2(17) . .
N18 C140 C151 C139 157(2) . .
N18 C140 C151 C161 -41(3) . .
N18 C140 C151 C162 -20(3) . .
N18 C140 C162 C151 20(3) . .
N18 C140 C162 C160 -33.0(13) . .
N18 C151 C162 C140 -154(4) . .
N18 C151 C162 C160 -22.8(10) . .
O117 Cu8 O26 C32 -175.6(4) . .
O117 Cu8 O28 C73 157.8(5) . .
O117 Cu8 O30 C64 162.5(4) . .
O117 Cu8 O32 C81 -172.4(4) . .
O117 Cu8 O197 C160 20.3(11) . .
O197 Cu8 O26 C32 167.9(5) . .
O197 Cu8 O28 C73 174.1(5) . .
O197 Cu8 O30 C64 167.0(5) . .
O197 Cu8 O32 C81 -176.5(5) . .
O197 C160 C162 C140 133(3) . .
O197 C160 C162 C151 104(2) . .
C161 C151 N18 C140 156(2) . .
C161 C151 C162 C140 168(3) . .
C161 C151 C162 C160 -60.3(16) . .
C162 C140 C151 N14 147(3) . .
C162 C140 C151 C139 178(2) . .
C162 C140 C151 N18 20(3) . .
C162 C140 C151 C161 -21(5) . .
C162 C140 N18 C151 -154(4) . .
C162 C151 N18 C140 16(2) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 2823 520 'DMF and water of crystallisation'
