#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:10:12 +0300 (Wed, 05 May 2021) $
#$Revision: 264886 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/80/7128080.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_7128080
loop_
_publ_author_name
'Yuan, Shang-Fu'
'Luyang, Heng-Wang'
'Lei, Zhen'
'Wan, Xian-Kai'
'Li, Jiao-Jiao'
'Wang, Quan-Ming'
_publ_section_title
;
 A stable well-defined copper hydride cluster consolidated with hemilabile
 phosphines.
;
_journal_issue                   35
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4315
_journal_page_last               4318
_journal_paper_doi               10.1039/d1cc01161h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety
'2(C102 H90 Cu8 N6 P6), 5(C H2 Cl2), 4(C F3 O3 S)'
_chemical_formula_sum            'C213 H190 Cl10 Cu16 F12 N12 O12 P12 S4'
_chemical_formula_weight         5208.78
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2021-01-28
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-03-02 deposited with the CCDC.	2021-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.777(2)
_cell_angle_beta                 91.477(2)
_cell_angle_gamma                105.027(2)
_cell_formula_units_Z            1
_cell_length_a                   14.0215(4)
_cell_length_b                   15.7562(4)
_cell_length_c                   25.1672(6)
_cell_measurement_reflns_used    12372
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      65.6560
_cell_measurement_theta_min      3.7210
_cell_volume                     5367.0(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector_area_resol_mean 5.2137
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0575
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            35502
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        65.812
_diffrn_reflns_theta_max         65.812
_diffrn_reflns_theta_min         3.514
_exptl_absorpt_coefficient_mu    4.608
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90419
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_description       block
_exptl_crystal_F_000             2634
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.279
_refine_diff_density_min         -2.085
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1219
_refine_ls_number_reflns         18123
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0780P)²+31.4629P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1637
_refine_ls_wR_factor_ref         0.1784
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14408
_reflns_number_total             18123
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc01161h2.cif
_cod_data_source_block           p
_cod_depositor_comments          'Adding full bibliography for 7128080.cif.'
_cod_database_code               7128080
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: C5(0.5) H5A(0.5) H5B(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B)
3.b Aromatic/amide H refined with riding coordinates:
 C112(H112), C113(H113), C114(H114), C115(H115), C116(H116), C122(H122),
 C123(H123), C124(H124), C125(H125), C126(H126), C132(H132), C133(H133),
 C134(H134), C135(H135), C212(H212), C213(H213), C214(H214), C215(H215),
 C216(H216), C222(H222), C223(H223), C224(H224), C225(H225), C226(H226),
 C232(H232), C233(H233), C234(H234), C235(H235), C312(H312), C313(H313),
 C314(H314), C315(H315), C316(H316), C322(H322), C323(H323), C324(H324),
 C325(H325), C326(H326), C332(H332), C333(H333), C334(H334), C335(H335),
 C412(H412), C413(H413), C414(H414), C415(H415), C416(H416), C422(H422),
 C423(H423), C424(H424), C425(H425), C426(H426), C432(H432), C433(H433),
 C434(H434), C435(H435), C512(H512), C513(H513), C514(H514), C515(H515),
 C516(H516), C522(H522), C523(H523), C524(H524), C525(H525), C526(H526),
 C532(H532), C533(H533), C534(H534), C535(H535), C612(H612), C613(H613),
 C614(H614), C615(H615), C616(H616), C622(H622), C623(H623), C624(H624),
 C625(H625), C626(H626), C632(H632), C633(H633), C634(H634), C635(H635)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.41429(6) 0.97767(6) 0.05636(3) 0.02248(19) Uani 1 1 d . . . . .
H H 0.534(5) 0.985(4) 0.073(2) 0.026(16) Uiso 1 1 d . . . . .
HA H 0.417(7) 0.891(6) 0.020(4) 0.07(3) Uiso 1 1 d . . . . .
HB H 0.375(6) 1.025(6) 0.011(3) 0.06(2) Uiso 1 1 d . . . . .
Cu2 Cu 0.53844(6) 0.90590(5) 0.02734(3) 0.02277(19) Uani 1 1 d . . . . .
Cu3 Cu 0.60051(6) 1.06732(5) 0.03981(3) 0.02162(19) Uani 1 1 d . . . . .
Cu4 Cu 0.74657(6) 0.99321(5) -0.00063(3) 0.02363(19) Uani 1 1 d . . . . .
P1 P 0.31696(11) 0.96740(10) 0.12444(5) 0.0215(3) Uani 1 1 d . . . . .
P2 P 0.61197(10) 0.80435(9) 0.05066(6) 0.0209(3) Uani 1 1 d . . . . .
P3 P 0.72920(10) 1.15555(9) 0.08113(6) 0.0207(3) Uani 1 1 d . . . . .
N136 N 0.2052(3) 1.0572(3) 0.07205(19) 0.0224(10) Uani 1 1 d . . . . .
N236 N 0.7893(3) 0.9223(3) 0.06391(19) 0.0221(10) Uani 1 1 d . . . . .
N336 N 0.8483(3) 1.1170(3) 0.00677(18) 0.0221(10) Uani 1 1 d . . . . .
C111 C 0.3872(4) 0.9985(4) 0.1868(2) 0.0253(12) Uani 1 1 d . . . . .
C112 C 0.3967(5) 0.9386(5) 0.2242(3) 0.0395(16) Uani 1 1 d . . . . .
H112 H 0.3583 0.8809 0.2208 0.047 Uiso 1 1 calc R . . . .
C113 C 0.4634(6) 0.9629(6) 0.2675(3) 0.052(2) Uani 1 1 d . . . . .
H113 H 0.4696 0.9216 0.2925 0.063 Uiso 1 1 calc R . . . .
C114 C 0.5195(6) 1.0483(5) 0.2729(3) 0.0458(18) Uani 1 1 d . . . . .
H114 H 0.5632 1.0649 0.3019 0.055 Uiso 1 1 calc R . . . .
C115 C 0.5116(6) 1.1094(5) 0.2357(3) 0.0420(17) Uani 1 1 d . . . . .
H115 H 0.5495 1.1671 0.2398 0.050 Uiso 1 1 calc R . . . .
C116 C 0.4471(5) 1.0846(5) 0.1922(3) 0.0375(15) Uani 1 1 d . . . . .
H116 H 0.4435 1.1255 0.1664 0.045 Uiso 1 1 calc R . . . .
C121 C 0.2314(4) 0.8614(4) 0.1358(2) 0.0251(12) Uani 1 1 d . . . . .
C122 C 0.2432(5) 0.7896(4) 0.1065(3) 0.0328(14) Uani 1 1 d . . . . .
H122 H 0.2923 0.7977 0.0815 0.039 Uiso 1 1 calc R . . . .
C123 C 0.1830(6) 0.7066(5) 0.1140(3) 0.0442(17) Uani 1 1 d . . . . .
H123 H 0.1927 0.6588 0.0949 0.053 Uiso 1 1 calc R . . . .
C124 C 0.1080(5) 0.6947(5) 0.1502(3) 0.0438(18) Uani 1 1 d . . . . .
H124 H 0.0666 0.6390 0.1552 0.053 Uiso 1 1 calc R . . . .
C125 C 0.0951(5) 0.7663(5) 0.1790(3) 0.0431(18) Uani 1 1 d . . . . .
H125 H 0.0450 0.7584 0.2034 0.052 Uiso 1 1 calc R . . . .
C126 C 0.1560(5) 0.8490(5) 0.1719(3) 0.0333(14) Uani 1 1 d . . . . .
H126 H 0.1466 0.8967 0.1913 0.040 Uiso 1 1 calc R . . . .
C131 C 0.2352(4) 1.0425(4) 0.1215(2) 0.0252(12) Uani 1 1 d . . . . .
C132 C 0.2067(5) 1.0804(5) 0.1663(3) 0.0359(15) Uani 1 1 d . . . . .
H132 H 0.2299 1.0701 0.2000 0.043 Uiso 1 1 calc R . . . .
C133 C 0.1433(6) 1.1338(5) 0.1602(3) 0.0428(17) Uani 1 1 d . . . . .
H133 H 0.1221 1.1591 0.1897 0.051 Uiso 1 1 calc R . . . .
C134 C 0.1117(5) 1.1493(5) 0.1097(3) 0.0369(15) Uani 1 1 d . . . . .
H134 H 0.0691 1.1851 0.1046 0.044 Uiso 1 1 calc R . . . .
C135 C 0.1451(5) 1.1104(4) 0.0672(3) 0.0292(13) Uani 1 1 d . . . . .
H135 H 0.1246 1.1216 0.0332 0.035 Uiso 1 1 calc R . . . .
C211 C 0.5401(5) 0.7204(4) 0.0932(3) 0.0300(14) Uani 1 1 d . . . . .
C212 C 0.5256(6) 0.6312(5) 0.0850(3) 0.0490(19) Uani 1 1 d . . . . .
H212 H 0.5606 0.6105 0.0591 0.059 Uiso 1 1 calc R . . . .
C213 C 0.4584(7) 0.5718(6) 0.1155(4) 0.065(3) Uani 1 1 d . . . . .
H213 H 0.4487 0.5116 0.1098 0.079 Uiso 1 1 calc R . . . .
C214 C 0.4072(6) 0.6016(6) 0.1533(4) 0.062(3) Uani 1 1 d . . . . .
H214 H 0.3620 0.5616 0.1730 0.075 Uiso 1 1 calc R . . . .
C215 C 0.4214(5) 0.6906(6) 0.1630(3) 0.049(2) Uani 1 1 d . . . . .
H215 H 0.3871 0.7104 0.1896 0.058 Uiso 1 1 calc R . . . .
C216 C 0.4873(5) 0.7501(5) 0.1327(3) 0.0384(16) Uani 1 1 d . . . . .
H216 H 0.4965 0.8101 0.1387 0.046 Uiso 1 1 calc R . . . .
C221 C 0.6440(4) 0.7437(4) -0.0057(3) 0.0271(13) Uani 1 1 d . . . . .
C222 C 0.7114(5) 0.6935(5) -0.0020(3) 0.0395(16) Uani 1 1 d . . . . .
H222 H 0.7427 0.6890 0.0305 0.047 Uiso 1 1 calc R . . . .
C223 C 0.7324(6) 0.6498(5) -0.0468(4) 0.052(2) Uani 1 1 d . . . . .
H223 H 0.7764 0.6148 -0.0441 0.062 Uiso 1 1 calc R . . . .
C224 C 0.6879(6) 0.6586(5) -0.0952(3) 0.050(2) Uani 1 1 d . . . . .
H224 H 0.7034 0.6308 -0.1253 0.059 Uiso 1 1 calc R . . . .
C225 C 0.6218(6) 0.7075(5) -0.0989(3) 0.049(2) Uani 1 1 d . . . . .
H225 H 0.5914 0.7123 -0.1316 0.059 Uiso 1 1 calc R . . . .
C226 C 0.5989(5) 0.7506(5) -0.0543(3) 0.0358(15) Uani 1 1 d . . . . .
H226 H 0.5533 0.7840 -0.0572 0.043 Uiso 1 1 calc R . . . .
C231 C 0.7320(4) 0.8484(4) 0.0853(2) 0.0220(12) Uani 1 1 d . . . . .
C232 C 0.7612(5) 0.8115(4) 0.1304(2) 0.0288(13) Uani 1 1 d . . . . .
H232 H 0.7207 0.7604 0.1438 0.035 Uiso 1 1 calc R . . . .
C233 C 0.8513(5) 0.8513(5) 0.1554(2) 0.0326(14) Uani 1 1 d . . . . .
H233 H 0.8718 0.8276 0.1859 0.039 Uiso 1 1 calc R . . . .
C234 C 0.9101(5) 0.9266(4) 0.1342(2) 0.0297(13) Uani 1 1 d . . . . .
H234 H 0.9707 0.9549 0.1502 0.036 Uiso 1 1 calc R . . . .
C235 C 0.8766(4) 0.9592(4) 0.0884(2) 0.0274(13) Uani 1 1 d . . . . .
H235 H 0.9170 1.0093 0.0739 0.033 Uiso 1 1 calc R . . . .
C311 C 0.7029(4) 1.2617(4) 0.0928(2) 0.0234(12) Uani 1 1 d . . . . .
C312 C 0.6880(5) 1.3105(4) 0.0496(3) 0.0358(15) Uani 1 1 d . . . . .
H312 H 0.6999 1.2926 0.0156 0.043 Uiso 1 1 calc R . . . .
C313 C 0.6557(6) 1.3855(5) 0.0564(3) 0.0457(18) Uani 1 1 d . . . . .
H313 H 0.6467 1.4183 0.0271 0.055 Uiso 1 1 calc R . . . .
C314 C 0.6367(6) 1.4117(5) 0.1070(4) 0.0482(19) Uani 1 1 d . . . . .
H314 H 0.6153 1.4623 0.1118 0.058 Uiso 1 1 calc R . . . .
C315 C 0.6497(6) 1.3628(5) 0.1503(3) 0.0436(18) Uani 1 1 d . . . . .
H315 H 0.6362 1.3798 0.1842 0.052 Uiso 1 1 calc R . . . .
C316 C 0.6826(5) 1.2888(5) 0.1431(3) 0.0353(15) Uani 1 1 d . . . . .
H316 H 0.6914 1.2561 0.1725 0.042 Uiso 1 1 calc R . . . .
C321 C 0.7749(4) 1.1245(4) 0.1443(2) 0.0232(12) Uani 1 1 d . . . . .
C322 C 0.7173(5) 1.0516(4) 0.1691(2) 0.0298(13) Uani 1 1 d . . . . .
H322 H 0.6573 1.0209 0.1534 0.036 Uiso 1 1 calc R . . . .
C323 C 0.7484(5) 1.0243(5) 0.2168(3) 0.0382(16) Uani 1 1 d . . . . .
H323 H 0.7087 0.9759 0.2333 0.046 Uiso 1 1 calc R . . . .
C324 C 0.8374(5) 1.0680(5) 0.2401(3) 0.0370(16) Uani 1 1 d . . . . .
H324 H 0.8588 1.0482 0.2718 0.044 Uiso 1 1 calc R . . . .
C325 C 0.8950(5) 1.1410(5) 0.2166(3) 0.0379(16) Uani 1 1 d . . . . .
H325 H 0.9551 1.1709 0.2325 0.045 Uiso 1 1 calc R . . . .
C326 C 0.8638(5) 1.1704(4) 0.1691(2) 0.0312(14) Uani 1 1 d . . . . .
H326 H 0.9023 1.2207 0.1538 0.037 Uiso 1 1 calc R . . . .
C331 C 0.8397(4) 1.1824(4) 0.0403(2) 0.0218(12) Uani 1 1 d . . . . .
C332 C 0.9083(5) 1.2633(4) 0.0424(2) 0.0296(13) Uani 1 1 d . . . . .
H332 H 0.9011 1.3070 0.0659 0.036 Uiso 1 1 calc R . . . .
C333 C 0.9874(5) 1.2785(4) 0.0093(3) 0.0370(16) Uani 1 1 d . . . . .
H333 H 1.0345 1.3324 0.0105 0.044 Uiso 1 1 calc R . . . .
C334 C 0.9959(5) 1.2126(4) -0.0256(3) 0.0319(14) Uani 1 1 d . . . . .
H334 H 1.0477 1.2215 -0.0490 0.038 Uiso 1 1 calc R . . . .
C335 C 0.9258(5) 1.1335(4) -0.0249(2) 0.0284(13) Uani 1 1 d . . . . .
H335 H 0.9326 1.0888 -0.0479 0.034 Uiso 1 1 calc R . . . .
Cu5 Cu 0.41605(6) 0.49696(6) 0.44183(3) 0.02299(19) Uani 1 1 d . . . . .
HC H 0.503(6) 0.392(5) 0.537(3) 0.05(2) Uiso 1 1 d . . . . .
HD H 0.359(6) 0.486(6) 0.497(3) 0.06(2) Uiso 1 1 d . . . . .
HE H 0.520(6) 0.463(5) 0.422(3) 0.06(2) Uiso 1 1 d . . . . .
Cu6 Cu 0.54720(6) 0.41008(5) 0.47525(3) 0.02297(19) Uani 1 1 d . . . . .
Cu7 Cu 0.59086(6) 0.57092(6) 0.45503(3) 0.02354(19) Uani 1 1 d . . . . .
Cu8 Cu 0.74922(6) 0.49921(6) 0.50060(3) 0.0247(2) Uani 1 1 d . . . . .
P4 P 0.30880(11) 0.47637(10) 0.37444(5) 0.0222(3) Uani 1 1 d . . . . .
P5 P 0.61777(11) 0.30560(10) 0.45143(6) 0.0220(3) Uani 1 1 d . . . . .
P6 P 0.71953(10) 0.65223(9) 0.41425(6) 0.0208(3) Uani 1 1 d . . . . .
N436 N 0.1587(3) 0.4157(3) 0.44094(19) 0.0229(10) Uani 1 1 d . . . . .
N536 N 0.7741(4) 0.3764(3) 0.51729(19) 0.0247(10) Uani 1 1 d . . . . .
N636 N 0.8256(3) 0.5325(3) 0.42877(19) 0.0232(10) Uani 1 1 d . . . . .
C411 C 0.2852(4) 0.5739(4) 0.3448(2) 0.0251(12) Uani 1 1 d . . . . .
C412 C 0.3439(5) 0.6550(4) 0.3609(3) 0.0325(14) Uani 1 1 d . . . . .
H412 H 0.3948 0.6581 0.3858 0.039 Uiso 1 1 calc R . . . .
C413 C 0.3288(6) 0.7322(5) 0.3406(3) 0.0431(17) Uani 1 1 d . . . . .
H413 H 0.3698 0.7863 0.3515 0.052 Uiso 1 1 calc R . . . .
C414 C 0.2532(6) 0.7277(5) 0.3044(3) 0.0440(17) Uani 1 1 d . . . . .
H414 H 0.2423 0.7790 0.2907 0.053 Uiso 1 1 calc R . . . .
C415 C 0.1929(6) 0.6470(5) 0.2882(3) 0.0426(17) Uani 1 1 d . . . . .
H415 H 0.1413 0.6445 0.2638 0.051 Uiso 1 1 calc R . . . .
C416 C 0.2080(5) 0.5708(5) 0.3076(3) 0.0353(15) Uani 1 1 d . . . . .
H416 H 0.1672 0.5169 0.2961 0.042 Uiso 1 1 calc R . . . .
C421 C 0.3462(5) 0.4142(4) 0.3203(2) 0.0277(13) Uani 1 1 d . . . . .
C422 C 0.3473(6) 0.3277(5) 0.3289(3) 0.0422(17) Uani 1 1 d . . . . .
H422 H 0.3205 0.3004 0.3597 0.051 Uiso 1 1 calc R . . . .
C423 C 0.3872(7) 0.2816(5) 0.2927(3) 0.049(2) Uani 1 1 d . . . . .
H423 H 0.3848 0.2228 0.2982 0.059 Uiso 1 1 calc R . . . .
C424 C 0.4311(7) 0.3232(6) 0.2477(3) 0.055(2) Uani 1 1 d . . . . .
H424 H 0.4601 0.2931 0.2236 0.066 Uiso 1 1 calc R . . . .
C425 C 0.4313(7) 0.4084(6) 0.2396(3) 0.056(2) Uani 1 1 d . . . . .
H425 H 0.4600 0.4362 0.2093 0.067 Uiso 1 1 calc R . . . .
C426 C 0.3892(6) 0.4547(5) 0.2757(3) 0.0415(17) Uani 1 1 d . . . . .
H426 H 0.3902 0.5130 0.2696 0.050 Uiso 1 1 calc R . . . .
C431 C 0.1858(4) 0.4070(4) 0.3902(2) 0.0224(12) Uani 1 1 d . . . . .
C432 C 0.1262(5) 0.3473(4) 0.3543(3) 0.0331(14) Uani 1 1 d . . . . .
H432 H 0.1457 0.3431 0.3195 0.040 Uiso 1 1 calc R . . . .
C433 C 0.0378(5) 0.2942(5) 0.3706(3) 0.0400(16) Uani 1 1 d . . . . .
H433 H -0.0027 0.2538 0.3470 0.048 Uiso 1 1 calc R . . . .
C434 C 0.0104(5) 0.3016(4) 0.4220(3) 0.0352(15) Uani 1 1 d . . . . .
H434 H -0.0484 0.2658 0.4340 0.042 Uiso 1 1 calc R . . . .
C435 C 0.0722(4) 0.3638(4) 0.4557(2) 0.0281(13) Uani 1 1 d . . . . .
H435 H 0.0525 0.3698 0.4903 0.034 Uiso 1 1 calc R . . . .
C511 C 0.5334(4) 0.1963(4) 0.4512(2) 0.0268(13) Uani 1 1 d . . . . .
C512 C 0.4963(5) 0.1589(5) 0.4986(3) 0.0405(16) Uani 1 1 d . . . . .
H512 H 0.5189 0.1880 0.5307 0.049 Uiso 1 1 calc R . . . .
C513 C 0.4257(6) 0.0783(6) 0.4985(4) 0.051(2) Uani 1 1 d . . . . .
H513 H 0.4037 0.0524 0.5305 0.061 Uiso 1 1 calc R . . . .
C514 C 0.3885(6) 0.0371(5) 0.4511(4) 0.053(2) Uani 1 1 d . . . . .
H514 H 0.3403 -0.0160 0.4511 0.063 Uiso 1 1 calc R . . . .
C515 C 0.4214(6) 0.0732(5) 0.4045(4) 0.057(2) Uani 1 1 d . . . . .
H515 H 0.3949 0.0453 0.3727 0.068 Uiso 1 1 calc R . . . .
C516 C 0.4950(5) 0.1522(5) 0.4039(3) 0.0395(16) Uani 1 1 d . . . . .
H516 H 0.5185 0.1756 0.3716 0.047 Uiso 1 1 calc R . . . .
C521 C 0.6755(4) 0.3100(4) 0.3869(2) 0.0271(13) Uani 1 1 d . . . . .
C522 C 0.7294(5) 0.2511(5) 0.3716(3) 0.0370(16) Uani 1 1 d . . . . .
H522 H 0.7376 0.2079 0.3948 0.044 Uiso 1 1 calc R . . . .
C523 C 0.7705(5) 0.2571(6) 0.3220(3) 0.049(2) Uani 1 1 d . . . . .
H523 H 0.8057 0.2175 0.3116 0.059 Uiso 1 1 calc R . . . .
C524 C 0.7593(6) 0.3214(6) 0.2881(3) 0.054(2) Uani 1 1 d . . . . .
H524 H 0.7882 0.3256 0.2550 0.064 Uiso 1 1 calc R . . . .
C525 C 0.7060(6) 0.3798(5) 0.3021(3) 0.0467(19) Uani 1 1 d . . . . .
H525 H 0.6979 0.4226 0.2786 0.056 Uiso 1 1 calc R . . . .
C526 C 0.6640(5) 0.3741(4) 0.3522(2) 0.0336(14) Uani 1 1 d . . . . .
H526 H 0.6282 0.4135 0.3621 0.040 Uiso 1 1 calc R . . . .
C531 C 0.7190(4) 0.2980(4) 0.4978(2) 0.0232(12) Uani 1 1 d . . . . .
C532 C 0.7383(5) 0.2189(4) 0.5125(3) 0.0315(14) Uani 1 1 d . . . . .
H532 H 0.7001 0.1659 0.4982 0.038 Uiso 1 1 calc R . . . .
C533 C 0.8147(5) 0.2201(5) 0.5487(3) 0.0364(15) Uani 1 1 d . . . . .
H533 H 0.8278 0.1679 0.5594 0.044 Uiso 1 1 calc R . . . .
C534 C 0.8710(5) 0.2997(5) 0.5686(3) 0.0335(15) Uani 1 1 d . . . . .
H534 H 0.9229 0.3023 0.5928 0.040 Uiso 1 1 calc R . . . .
C535 C 0.8485(4) 0.3755(4) 0.5517(2) 0.0292(13) Uani 1 1 d . . . . .
H535 H 0.8873 0.4291 0.5650 0.035 Uiso 1 1 calc R . . . .
C611 C 0.6937(4) 0.7044(4) 0.3532(2) 0.0248(12) Uani 1 1 d . . . . .
C612 C 0.7577(5) 0.7764(4) 0.3310(2) 0.0304(14) Uani 1 1 d . . . . .
H612 H 0.8191 0.8011 0.3473 0.036 Uiso 1 1 calc R . . . .
C613 C 0.7304(5) 0.8117(4) 0.2846(3) 0.0370(15) Uani 1 1 d . . . . .
H613 H 0.7738 0.8599 0.2698 0.044 Uiso 1 1 calc R . . . .
C614 C 0.6400(6) 0.7759(5) 0.2603(3) 0.0452(18) Uani 1 1 d . . . . .
H614 H 0.6220 0.8000 0.2293 0.054 Uiso 1 1 calc R . . . .
C615 C 0.5760(6) 0.7042(6) 0.2819(3) 0.052(2) Uani 1 1 d . . . . .
H615 H 0.5146 0.6801 0.2654 0.062 Uiso 1 1 calc R . . . .
C616 C 0.6025(5) 0.6679(5) 0.3279(3) 0.0390(16) Uani 1 1 d . . . . .
H616 H 0.5593 0.6189 0.3419 0.047 Uiso 1 1 calc R . . . .
C621 C 0.7940(4) 0.7414(4) 0.4567(2) 0.0249(12) Uani 1 1 d . . . . .
C622 C 0.8905(5) 0.7868(4) 0.4456(2) 0.0292(13) Uani 1 1 d . . . . .
H622 H 0.9208 0.7714 0.4159 0.035 Uiso 1 1 calc R . . . .
C623 C 0.9411(5) 0.8553(4) 0.4791(3) 0.0361(15) Uani 1 1 d . . . . .
H623 H 1.0050 0.8863 0.4712 0.043 Uiso 1 1 calc R . . . .
C624 C 0.8980(6) 0.8780(5) 0.5239(3) 0.0420(17) Uani 1 1 d . . . . .
H624 H 0.9330 0.9232 0.5465 0.050 Uiso 1 1 calc R . . . .
C625 C 0.8028(6) 0.8332(5) 0.5350(3) 0.0411(17) Uani 1 1 d . . . . .
H625 H 0.7731 0.8490 0.5649 0.049 Uiso 1 1 calc R . . . .
C626 C 0.7504(5) 0.7645(4) 0.5018(3) 0.0320(14) Uani 1 1 d . . . . .
H626 H 0.6863 0.7342 0.5098 0.038 Uiso 1 1 calc R . . . .
C631 C 0.8107(4) 0.5927(4) 0.3942(2) 0.0217(12) Uani 1 1 d . . . . .
C632 C 0.8590(5) 0.6068(4) 0.3463(2) 0.0286(13) Uani 1 1 d . . . . .
H632 H 0.8486 0.6496 0.3234 0.034 Uiso 1 1 calc R . . . .
C633 C 0.9230(5) 0.5561(5) 0.3330(3) 0.0361(15) Uani 1 1 d . . . . .
H633 H 0.9555 0.5642 0.3010 0.043 Uiso 1 1 calc R . . . .
C634 C 0.9372(5) 0.4942(4) 0.3678(3) 0.0312(14) Uani 1 1 d . . . . .
H634 H 0.9789 0.4589 0.3598 0.037 Uiso 1 1 calc R . . . .
C635 C 0.8881(4) 0.4855(4) 0.4149(2) 0.0294(13) Uani 1 1 d . . . . .
H635 H 0.8992 0.4442 0.4387 0.035 Uiso 1 1 calc R . . . .
Cl1 Cl 0.1689(2) -0.06234(17) 0.55340(10) 0.0716(6) Uiso 1 1 d . . . . .
Cl2 Cl 0.31756(19) 0.01698(17) 0.63310(10) 0.0693(6) Uiso 1 1 d . . . . .
C3 C 0.2190(6) 0.0313(5) 0.5936(3) 0.0464(18) Uiso 1 1 d . . . . .
H3A H 0.2418 0.0819 0.5713 0.056 Uiso 1 1 calc R . . . .
H3B H 0.1683 0.0425 0.6161 0.056 Uiso 1 1 calc R . . . .
Cl3 Cl -0.26613(19) 0.59586(17) 0.20864(10) 0.0691(6) Uiso 1 1 d . . . . .
Cl4 Cl -0.15754(19) 0.60914(17) 0.11087(10) 0.0710(6) Uiso 1 1 d . . . . .
C4 C -0.1690(7) 0.5675(7) 0.1757(4) 0.063(2) Uiso 1 1 d . . . . .
H4A H -0.1075 0.5908 0.1957 0.075 Uiso 1 1 calc R . . . .
H4B H -0.1814 0.5040 0.1738 0.075 Uiso 1 1 calc R . . . .
Cl5 Cl -0.1063(2) 0.4796(2) -0.00268(12) 0.0869(8) Uiso 1 1 d . . . . .
S2 S -0.00038(12) 0.41993(11) 0.20399(6) 0.0340(4) Uiso 1 1 d . . . . .
F4 F 0.1267(7) 0.4701(6) 0.1313(4) 0.131(3) Uiso 1 1 d . . . . .
F5 F 0.1888(6) 0.4334(5) 0.2003(3) 0.104(2) Uiso 1 1 d . . . . .
F6 F 0.0985(5) 0.3388(4) 0.1449(3) 0.0884(18) Uiso 1 1 d . . . . .
O4 O 0.0179(4) 0.5095(3) 0.2214(2) 0.0460(12) Uiso 1 1 d . . . . .
O5 O -0.0799(5) 0.3912(4) 0.1662(2) 0.0627(16) Uiso 1 1 d . . . . .
O6 O 0.0009(6) 0.3595(5) 0.2448(3) 0.0778(19) Uiso 1 1 d . . . . .
C2 C 0.1052(6) 0.4140(5) 0.1695(3) 0.0461(18) Uiso 1 1 d . . . . .
C5 C 0.0025(15) 0.5148(14) 0.0465(8) 0.071(5) Uiso 0.5 1 d . . P . .
H5A H 0.0056 0.5716 0.0630 0.085 Uiso 0.5 1 calc R . P . .
H5B H 0.0000 0.4717 0.0740 0.085 Uiso 0.5 1 calc R . P . .
S1 S 1.02625(16) 0.91487(14) 0.31120(9) 0.0541(5) Uiso 1 1 d . . . . .
F1 F 1.1544(7) 1.0651(6) 0.3166(4) 0.132(3) Uiso 1 1 d . . . . .
F2 F 1.1650(6) 0.9830(5) 0.3807(3) 0.103(2) Uiso 1 1 d . . . . .
F3 F 1.2173(5) 0.9577(5) 0.3040(3) 0.0936(19) Uiso 1 1 d . . . . .
O1 O 0.9605(5) 0.9544(4) 0.3389(3) 0.0668(16) Uiso 1 1 d . . . . .
O2 O 1.0189(6) 0.9222(5) 0.2547(3) 0.089(2) Uiso 1 1 d . . . . .
O3 O 1.0349(7) 0.8329(7) 0.3309(4) 0.110(3) Uiso 1 1 d . . . . .
C1 C 1.1457(7) 0.9822(6) 0.3285(4) 0.061(2) Uiso 1 1 d . . . . .
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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
H Cu1 HA 87(4) . . ?
H Cu1 HB 127(4) . . ?
HA Cu1 HB 95(4) . . ?
Cu2 Cu1 H 94(2) 2_675 . ?
Cu2 Cu1 H 44(2) . . ?
Cu2 Cu1 HA 43(3) . . ?
Cu2 Cu1 HA 94(3) 2_675 . ?
Cu2 Cu1 HB 113(3) . . ?
Cu2 Cu1 HB 33(3) 2_675 . ?
Cu2 Cu1 Cu2 89.35(4) . 2_675 ?
Cu2 Cu1 Cu3 57.86(3) . . ?
Cu2 Cu1 Cu3 65.43(3) . 2_675 ?
Cu2 Cu1 Cu4 129.60(4) . 2_675 ?
Cu3 Cu1 H 36(2) . . ?
Cu3 Cu1 H 104(2) 2_675 . ?
Cu3 Cu1 HA 96(3) . . ?
Cu3 Cu1 HA 42(3) 2_675 . ?
Cu3 Cu1 HB 91(3) . . ?
Cu3 Cu1 HB 54(3) 2_675 . ?
Cu3 Cu1 Cu2 55.52(3) 2_675 2_675 ?
Cu3 Cu1 Cu2 58.35(3) . 2_675 ?
Cu3 Cu1 Cu3 88.08(4) 2_675 . ?
Cu3 Cu1 Cu4 123.13(4) . 2_675 ?
Cu3 Cu1 Cu4 64.30(3) 2_675 2_675 ?
Cu4 Cu1 H 159(2) 2_675 . ?
Cu4 Cu1 HA 94(3) 2_675 . ?
Cu4 Cu1 HB 32(3) 2_675 . ?
Cu4 Cu1 Cu2 65.15(3) 2_675 2_675 ?
P1 Cu1 H 114(2) . . ?
P1 Cu1 HA 121(3) . . ?
P1 Cu1 HB 109(3) . . ?
P1 Cu1 Cu2 134.26(5) . 2_675 ?
P1 Cu1 Cu2 136.06(6) . . ?
P1 Cu1 Cu3 133.67(5) . . ?
P1 Cu1 Cu3 137.78(6) . 2_675 ?
P1 Cu1 Cu4 83.35(5) . 2_675 ?
Cu1 Cu2 Cu1 90.65(4) . 2_675 ?
Cu1 Cu2 H 95(2) 2_675 . ?
Cu1 Cu2 H 44(2) . . ?
Cu1 Cu2 HA 43(3) . . ?
Cu1 Cu2 HA 95(3) 2_675 . ?
Cu1 Cu2 Cu3 58.56(3) . 2_675 ?
Cu1 Cu2 Cu3 65.99(3) . . ?
Cu1 Cu2 Cu4 126.86(4) . . ?
Cu1 Cu2 Cu4 57.04(3) 2_675 . ?
H Cu2 HA 86(4) . . ?
Cu3 Cu2 Cu1 58.62(3) 2_675 2_675 ?
Cu3 Cu2 Cu1 56.29(3) . 2_675 ?
Cu3 Cu2 H 41(2) . . ?
Cu3 Cu2 H 97(2) 2_675 . ?
Cu3 Cu2 HA 37(3) 2_675 . ?
Cu3 Cu2 HA 103(3) . . ?
Cu3 Cu2 Cu3 88.72(4) . 2_675 ?
Cu3 Cu2 Cu4 61.01(3) . . ?
Cu3 Cu2 Cu4 115.33(4) 2_675 . ?
Cu4 Cu2 H 94(2) . . ?
Cu4 Cu2 HA 152(3) . . ?
P2 Cu2 Cu1 127.38(5) . 2_675 ?
P2 Cu2 Cu1 141.70(6) . . ?
P2 Cu2 H 118(2) . . ?
P2 Cu2 HA 125(3) . . ?
P2 Cu2 Cu3 127.91(6) . . ?
P2 Cu2 Cu3 141.24(6) . 2_675 ?
P2 Cu2 Cu4 79.60(5) . . ?
Cu1 Cu3 Cu1 91.92(4) 2_675 . ?
Cu1 Cu3 H 37(2) . . ?
Cu1 Cu3 H 108(2) 2_675 . ?
Cu1 Cu3 Cu2 56.01(3) 2_675 2_675 ?
Cu1 Cu3 Cu4 124.57(4) . . ?
Cu1 Cu3 Cu4 62.45(3) 2_675 . ?
Cu2 Cu3 Cu1 63.03(3) 2_675 . ?
Cu2 Cu3 Cu1 56.15(3) . . ?
Cu2 Cu3 Cu1 68.18(3) . 2_675 ?
Cu2 Cu3 H 43(2) . . ?
Cu2 Cu3 H 100(2) 2_675 . ?
Cu2 Cu3 Cu2 91.28(4) . 2_675 ?
Cu2 Cu3 Cu4 118.35(4) 2_675 . ?
Cu2 Cu3 Cu4 68.56(3) . . ?
Cu4 Cu3 H 102(2) . . ?
P3 Cu3 Cu1 141.16(5) . . ?
P3 Cu3 Cu1 126.84(5) . 2_675 ?
P3 Cu3 H 118(2) . . ?
P3 Cu3 Cu2 134.95(6) . . ?
P3 Cu3 Cu2 133.37(6) . 2_675 ?
P3 Cu3 Cu4 82.10(5) . . ?
Cu1 Cu4 Cu2 57.81(3) 2_675 . ?
Cu1 Cu4 Cu3 53.25(3) 2_675 . ?
Cu3 Cu4 Cu2 50.43(3) . . ?
N136 Cu4 Cu1 89.98(13) 2_675 2_675 ?
N136 Cu4 Cu2 114.61(13) 2_675 . ?
N136 Cu4 Cu3 143.21(13) 2_675 . ?
N236 Cu4 Cu1 143.78(13) . 2_675 ?
N236 Cu4 Cu2 85.97(13) . . ?
N236 Cu4 Cu3 105.34(13) . . ?
N236 Cu4 N136 106.62(18) . 2_675 ?
N336 Cu4 Cu1 105.10(13) . 2_675 ?
N336 Cu4 Cu2 139.22(13) . . ?
N336 Cu4 Cu3 89.10(13) . . ?
N336 Cu4 N136 100.93(18) . 2_675 ?
N336 Cu4 N236 103.03(18) . . ?
C111 P1 Cu1 111.75(19) . . ?
C111 P1 C131 103.7(3) . . ?
C121 P1 Cu1 117.7(2) . . ?
C121 P1 C111 105.7(3) . . ?
C121 P1 C131 102.9(3) . . ?
C131 P1 Cu1 113.7(2) . . ?
C211 P2 Cu2 114.6(2) . . ?
C211 P2 C221 105.0(3) . . ?
C211 P2 C231 106.3(3) . . ?
C221 P2 Cu2 113.7(2) . . ?
C221 P2 C231 102.6(3) . . ?
C231 P2 Cu2 113.57(19) . . ?
C311 P3 Cu3 108.65(19) . . ?
C311 P3 C331 103.7(3) . . ?
C321 P3 Cu3 120.2(2) . . ?
C321 P3 C311 106.4(3) . . ?
C321 P3 C331 103.5(3) . . ?
C331 P3 Cu3 112.96(18) . . ?
C131 N136 Cu4 124.4(4) . 2_675 ?
C135 N136 Cu4 118.1(4) . 2_675 ?
C135 N136 C131 117.4(5) . . ?
C231 N236 Cu4 125.8(4) . . ?
C235 N236 Cu4 116.6(4) . . ?
C235 N236 C231 117.3(5) . . ?
C331 N336 Cu4 124.7(4) . . ?
C335 N336 Cu4 117.7(4) . . ?
C335 N336 C331 117.5(5) . . ?
C112 C111 P1 122.8(5) . . ?
C112 C111 C116 118.7(6) . . ?
C116 C111 P1 117.6(5) . . ?
C111 C112 H112 119.5 . . ?
C111 C112 C113 120.9(7) . . ?
C113 C112 H112 119.5 . . ?
C112 C113 H113 120.2 . . ?
C114 C113 C112 119.5(7) . . ?
C114 C113 H113 120.2 . . ?
C113 C114 H114 119.7 . . ?
C115 C114 C113 120.5(7) . . ?
C115 C114 H114 119.7 . . ?
C114 C115 H115 120.1 . . ?
C114 C115 C116 119.9(7) . . ?
C116 C115 H115 120.1 . . ?
C111 C116 H116 119.8 . . ?
C115 C116 C111 120.5(7) . . ?
C115 C116 H116 119.8 . . ?
C122 C121 P1 117.4(5) . . ?
C126 C121 P1 123.4(5) . . ?
C126 C121 C122 119.1(6) . . ?
C121 C122 H122 119.6 . . ?
C123 C122 C121 120.8(6) . . ?
C123 C122 H122 119.6 . . ?
C122 C123 H123 120.1 . . ?
C122 C123 C124 119.8(7) . . ?
C124 C123 H123 120.1 . . ?
C123 C124 H124 120.2 . . ?
C125 C124 C123 119.5(7) . . ?
C125 C124 H124 120.2 . . ?
C124 C125 H125 119.7 . . ?
C126 C125 C124 120.6(7) . . ?
C126 C125 H125 119.7 . . ?
C121 C126 H126 119.9 . . ?
C125 C126 C121 120.1(7) . . ?
C125 C126 H126 119.9 . . ?
N136 C131 P1 114.4(4) . . ?
N136 C131 C132 122.5(6) . . ?
C132 C131 P1 123.1(5) . . ?
C131 C132 H132 120.6 . . ?
C133 C132 C131 118.8(6) . . ?
C133 C132 H132 120.6 . . ?
C132 C133 H133 120.3 . . ?
C134 C133 C132 119.3(6) . . ?
C134 C133 H133 120.3 . . ?
C133 C134 H134 120.9 . . ?
C135 C134 C133 118.2(6) . . ?
C135 C134 H134 120.9 . . ?
N136 C135 C134 123.7(6) . . ?
N136 C135 H135 118.1 . . ?
C134 C135 H135 118.1 . . ?
C212 C211 P2 124.5(5) . . ?
C212 C211 C216 119.0(6) . . ?
C216 C211 P2 116.0(5) . . ?
C211 C212 H212 120.0 . . ?
C211 C212 C213 120.1(8) . . ?
C213 C212 H212 120.0 . . ?
C212 C213 H213 119.9 . . ?
C214 C213 C212 120.2(8) . . ?
C214 C213 H213 119.9 . . ?
C213 C214 H214 119.5 . . ?
C213 C214 C215 121.0(7) . . ?
C215 C214 H214 119.5 . . ?
C214 C215 H215 120.3 . . ?
C214 C215 C216 119.3(8) . . ?
C216 C215 H215 120.3 . . ?
C211 C216 H216 119.8 . . ?
C215 C216 C211 120.4(7) . . ?
C215 C216 H216 119.8 . . ?
C222 C221 P2 123.5(5) . . ?
C226 C221 P2 117.2(5) . . ?
C226 C221 C222 119.3(6) . . ?
C221 C222 H222 120.0 . . ?
C221 C222 C223 120.1(7) . . ?
C223 C222 H222 120.0 . . ?
C222 C223 H223 120.1 . . ?
C224 C223 C222 119.8(7) . . ?
C224 C223 H223 120.1 . . ?
C223 C224 H224 119.9 . . ?
C225 C224 C223 120.3(7) . . ?
C225 C224 H224 119.9 . . ?
C224 C225 H225 119.7 . . ?
C224 C225 C226 120.7(8) . . ?
C226 C225 H225 119.7 . . ?
C221 C226 C225 119.9(7) . . ?
C221 C226 H226 120.1 . . ?
C225 C226 H226 120.1 . . ?
N236 C231 P2 114.5(4) . . ?
N236 C231 C232 122.3(5) . . ?
C232 C231 P2 123.2(5) . . ?
C231 C232 H232 120.3 . . ?
C231 C232 C233 119.4(6) . . ?
C233 C232 H232 120.3 . . ?
C232 C233 H233 120.5 . . ?
C234 C233 C232 118.9(6) . . ?
C234 C233 H233 120.5 . . ?
C233 C234 H234 120.8 . . ?
C233 C234 C235 118.4(6) . . ?
C235 C234 H234 120.8 . . ?
N236 C235 C234 123.7(6) . . ?
N236 C235 H235 118.2 . . ?
C234 C235 H235 118.2 . . ?
C312 C311 P3 118.9(5) . . ?
C312 C311 C316 118.5(6) . . ?
C316 C311 P3 121.9(5) . . ?
C311 C312 H312 119.6 . . ?
C313 C312 C311 120.8(7) . . ?
C313 C312 H312 119.6 . . ?
C312 C313 H313 120.1 . . ?
C312 C313 C314 119.7(7) . . ?
C314 C313 H313 120.1 . . ?
C313 C314 H314 120.0 . . ?
C315 C314 C313 120.0(7) . . ?
C315 C314 H314 120.0 . . ?
C314 C315 H315 120.1 . . ?
C316 C315 C314 119.7(7) . . ?
C316 C315 H315 120.1 . . ?
C311 C316 H316 119.4 . . ?
C315 C316 C311 121.3(7) . . ?
C315 C316 H316 119.4 . . ?
C322 C321 P3 117.7(5) . . ?
C322 C321 C326 118.7(5) . . ?
C326 C321 P3 123.6(5) . . ?
C321 C322 H322 119.8 . . ?
C323 C322 C321 120.5(6) . . ?
C323 C322 H322 119.8 . . ?
C322 C323 H323 119.7 . . ?
C324 C323 C322 120.6(6) . . ?
C324 C323 H323 119.7 . . ?
C323 C324 H324 120.1 . . ?
C323 C324 C325 119.8(6) . . ?
C325 C324 H324 120.1 . . ?
C324 C325 H325 119.8 . . ?
C324 C325 C326 120.3(6) . . ?
C326 C325 H325 119.8 . . ?
C321 C326 H326 120.0 . . ?
C325 C326 C321 120.1(6) . . ?
C325 C326 H326 120.0 . . ?
N336 C331 P3 114.8(4) . . ?
N336 C331 C332 121.8(5) . . ?
C332 C331 P3 123.3(5) . . ?
C331 C332 H332 120.3 . . ?
C333 C332 C331 119.4(6) . . ?
C333 C332 H332 120.3 . . ?
C332 C333 H333 120.5 . . ?
C332 C333 C334 119.1(6) . . ?
C334 C333 H333 120.5 . . ?
C333 C334 H334 120.9 . . ?
C335 C334 C333 118.3(6) . . ?
C335 C334 H334 120.9 . . ?
N336 C335 C334 123.9(6) . . ?
N336 C335 H335 118.1 . . ?
C334 C335 H335 118.1 . . ?
HD Cu5 HE 131(4) . . ?
Cu6 Cu5 HD 94(3) . . ?
Cu6 Cu5 HD 50(3) 2_666 . ?
Cu6 Cu5 HE 111(3) 2_666 . ?
Cu6 Cu5 HE 37(3) . . ?
Cu6 Cu5 Cu6 89.19(4) 2_666 . ?
Cu6 Cu5 Cu7 59.10(3) . 2_666 ?
Cu6 Cu5 Cu7 56.02(3) 2_666 2_666 ?
Cu6 Cu5 Cu8 122.12(4) . 2_666 ?
Cu6 Cu5 Cu8 65.60(3) 2_666 2_666 ?
Cu7 Cu5 HD 111(3) . . ?
Cu7 Cu5 HD 35(3) 2_666 . ?
Cu7 Cu5 HE 97(3) 2_666 . ?
Cu7 Cu5 HE 51(3) . . ?
Cu7 Cu5 Cu6 66.77(3) . 2_666 ?
Cu7 Cu5 Cu6 58.42(3) . . ?
Cu7 Cu5 Cu7 90.93(4) . 2_666 ?
Cu7 Cu5 Cu8 132.34(4) . 2_666 ?
Cu8 Cu5 HD 30(3) 2_666 . ?
Cu8 Cu5 HE 159(3) 2_666 . ?
Cu8 Cu5 Cu7 63.76(3) 2_666 2_666 ?
P4 Cu5 HD 110(3) . . ?
P4 Cu5 HE 109(3) . . ?
P4 Cu5 Cu6 137.14(6) . 2_666 ?
P4 Cu5 Cu6 133.11(5) . . ?
P4 Cu5 Cu7 135.38(6) . . ?
P4 Cu5 Cu7 133.33(6) . 2_666 ?
P4 Cu5 Cu8 82.49(5) . 2_666 ?
Cu5 Cu6 Cu5 90.81(4) 2_666 . ?
Cu5 Cu6 HC 49(3) 2_666 . ?
Cu5 Cu6 HC 96(3) . . ?
Cu5 Cu6 HE 114(3) 2_666 . ?
Cu5 Cu6 HE 39(3) . . ?
Cu5 Cu6 Cu7 55.57(3) 2_666 2_666 ?
Cu5 Cu6 Cu7 62.80(3) . 2_666 ?
Cu5 Cu6 Cu7 68.41(3) 2_666 . ?
Cu5 Cu6 Cu8 61.91(3) 2_666 . ?
Cu5 Cu6 Cu8 121.82(4) . . ?
HC Cu6 HE 135(4) . . ?
Cu7 Cu6 Cu5 55.82(3) . . ?
Cu7 Cu6 HC 33(3) 2_666 . ?
Cu7 Cu6 HC 111(3) . . ?
Cu7 Cu6 HE 102(3) 2_666 . ?
Cu7 Cu6 HE 49(3) . . ?
Cu7 Cu6 Cu7 91.73(4) . 2_666 ?
Cu7 Cu6 Cu8 66.25(3) . . ?
Cu7 Cu6 Cu8 117.46(4) 2_666 . ?
Cu8 Cu6 HC 100(3) . . ?
Cu8 Cu6 HE 103(3) . . ?
P5 Cu6 Cu5 142.54(5) . . ?
P5 Cu6 Cu5 126.60(5) . 2_666 ?
P5 Cu6 HC 110(3) . . ?
P5 Cu6 HE 111(3) . . ?
P5 Cu6 Cu7 130.64(6) . . ?
P5 Cu6 Cu7 137.01(6) . 2_666 ?
P5 Cu6 Cu8 80.84(5) . . ?
Cu5 Cu7 Cu5 89.07(4) . 2_666 ?
Cu5 Cu7 HE 95(2) 2_666 . ?
Cu5 Cu7 HE 46(3) . . ?
Cu5 Cu7 Cu6 57.66(3) . 2_666 ?
Cu5 Cu7 Cu6 65.76(3) . . ?
Cu5 Cu7 Cu8 128.16(4) . . ?
Cu5 Cu7 Cu8 57.50(3) 2_666 . ?
Cu6 Cu7 Cu5 58.10(3) 2_666 2_666 ?
Cu6 Cu7 Cu5 55.57(3) . 2_666 ?
Cu6 Cu7 HE 42(2) . . ?
Cu6 Cu7 HE 98(3) 2_666 . ?
Cu6 Cu7 Cu6 88.27(4) . 2_666 ?
Cu6 Cu7 Cu8 114.95(4) 2_666 . ?
Cu6 Cu7 Cu8 62.68(3) . . ?
Cu8 Cu7 HE 95(3) . . ?
P6 Cu7 Cu5 142.52(6) . . ?
P6 Cu7 Cu5 128.35(5) . 2_666 ?
P6 Cu7 HE 118(2) . . ?
P6 Cu7 Cu6 130.04(5) . . ?
P6 Cu7 Cu6 139.54(6) . 2_666 ?
P6 Cu7 Cu8 79.92(5) . . ?
Cu5 Cu8 Cu6 52.48(3) 2_666 . ?
Cu5 Cu8 Cu7 58.74(3) 2_666 . ?
Cu6 Cu8 Cu7 51.07(3) . . ?
N436 Cu8 Cu5 89.81(13) 2_666 2_666 ?
N436 Cu8 Cu6 142.29(13) 2_666 . ?
N436 Cu8 Cu7 113.52(13) 2_666 . ?
N536 Cu8 Cu5 104.23(14) . 2_666 ?
N536 Cu8 Cu6 88.14(14) . . ?
N536 Cu8 Cu7 138.73(14) . . ?
N536 Cu8 N436 102.83(19) . 2_666 ?
N536 Cu8 N636 102.38(18) . . ?
N636 Cu8 Cu5 146.52(13) . 2_666 ?
N636 Cu8 Cu6 109.02(13) . . ?
N636 Cu8 Cu7 87.82(13) . . ?
N636 Cu8 N436 103.71(19) . 2_666 ?
C411 P4 Cu5 117.1(2) . . ?
C411 P4 C421 106.4(3) . . ?
C411 P4 C431 104.9(3) . . ?
C421 P4 Cu5 111.0(2) . . ?
C421 P4 C431 102.8(3) . . ?
C431 P4 Cu5 113.53(19) . . ?
C511 P5 Cu6 113.0(2) . . ?
C511 P5 C521 103.4(3) . . ?
C511 P5 C531 104.2(3) . . ?
C521 P5 Cu6 119.7(2) . . ?
C521 P5 C531 102.4(3) . . ?
C531 P5 Cu6 112.44(19) . . ?
C611 P6 Cu7 116.7(2) . . ?
C611 P6 C621 105.4(3) . . ?
C611 P6 C631 103.5(3) . . ?
C621 P6 Cu7 112.7(2) . . ?
C621 P6 C631 102.5(3) . . ?
C631 P6 Cu7 114.49(19) . . ?
C431 N436 Cu8 123.5(4) . 2_666 ?
C435 N436 Cu8 118.7(4) . 2_666 ?
C435 N436 C431 117.7(5) . . ?
C531 N536 Cu8 125.4(4) . . ?
C535 N536 Cu8 117.1(4) . . ?
C535 N536 C531 117.5(5) . . ?
C631 N636 Cu8 125.3(4) . . ?
C635 N636 Cu8 117.3(4) . . ?
C635 N636 C631 117.3(5) . . ?
C412 C411 P4 118.5(5) . . ?
C412 C411 C416 118.3(6) . . ?
C416 C411 P4 123.2(5) . . ?
C411 C412 H412 119.2 . . ?
C411 C412 C413 121.5(6) . . ?
C413 C412 H412 119.2 . . ?
C412 C413 H413 120.4 . . ?
C414 C413 C412 119.3(7) . . ?
C414 C413 H413 120.4 . . ?
C413 C414 H414 120.0 . . ?
C413 C414 C415 120.0(7) . . ?
C415 C414 H414 120.0 . . ?
C414 C415 H415 119.5 . . ?
C416 C415 C414 120.9(7) . . ?
C416 C415 H415 119.5 . . ?
C411 C416 H416 120.0 . . ?
C415 C416 C411 119.9(7) . . ?
C415 C416 H416 120.0 . . ?
C422 C421 P4 118.5(5) . . ?
C426 C421 P4 121.7(5) . . ?
C426 C421 C422 118.9(6) . . ?
C421 C422 H422 119.5 . . ?
C423 C422 C421 121.0(7) . . ?
C423 C422 H422 119.5 . . ?
C422 C423 H423 120.1 . . ?
C422 C423 C424 119.7(7) . . ?
C424 C423 H423 120.1 . . ?
C423 C424 H424 120.4 . . ?
C425 C424 C423 119.3(7) . . ?
C425 C424 H424 120.4 . . ?
C424 C425 H425 119.5 . . ?
C424 C425 C426 121.1(7) . . ?
C426 C425 H425 119.5 . . ?
C421 C426 C425 120.0(7) . . ?
C421 C426 H426 120.0 . . ?
C425 C426 H426 120.0 . . ?
N436 C431 P4 114.7(4) . . ?
N436 C431 C432 121.7(6) . . ?
C432 C431 P4 123.5(5) . . ?
C431 C432 H432 120.3 . . ?
C433 C432 C431 119.4(6) . . ?
C433 C432 H432 120.3 . . ?
C432 C433 H433 120.3 . . ?
C434 C433 C432 119.3(6) . . ?
C434 C433 H433 120.3 . . ?
C433 C434 H434 120.7 . . ?
C433 C434 C435 118.6(6) . . ?
C435 C434 H434 120.7 . . ?
N436 C435 C434 123.3(6) . . ?
N436 C435 H435 118.4 . . ?
C434 C435 H435 118.4 . . ?
C512 C511 P5 120.2(5) . . ?
C512 C511 C516 117.8(6) . . ?
C516 C511 P5 121.5(5) . . ?
C511 C512 H512 119.6 . . ?
C511 C512 C513 120.8(7) . . ?
C513 C512 H512 119.6 . . ?
C512 C513 H513 120.1 . . ?
C514 C513 C512 119.8(7) . . ?
C514 C513 H513 120.1 . . ?
C513 C514 H514 119.7 . . ?
C515 C514 C513 120.5(7) . . ?
C515 C514 H514 119.7 . . ?
C514 C515 H515 119.8 . . ?
C514 C515 C516 120.4(8) . . ?
C516 C515 H515 119.8 . . ?
C511 C516 C515 120.6(7) . . ?
C511 C516 H516 119.7 . . ?
C515 C516 H516 119.7 . . ?
C522 C521 P5 122.5(5) . . ?
C526 C521 P5 118.0(5) . . ?
C526 C521 C522 119.5(6) . . ?
C521 C522 H522 120.1 . . ?
C523 C522 C521 119.9(7) . . ?
C523 C522 H522 120.1 . . ?
C522 C523 H523 120.0 . . ?
C524 C523 C522 120.1(7) . . ?
C524 C523 H523 120.0 . . ?
C523 C524 H524 119.5 . . ?
C523 C524 C525 121.0(7) . . ?
C525 C524 H524 119.5 . . ?
C524 C525 H525 120.4 . . ?
C524 C525 C526 119.3(8) . . ?
C526 C525 H525 120.4 . . ?
C521 C526 C525 120.2(7) . . ?
C521 C526 H526 119.9 . . ?
C525 C526 H526 119.9 . . ?
N536 C531 P5 114.4(4) . . ?
N536 C531 C532 121.8(6) . . ?
C532 C531 P5 123.8(5) . . ?
C531 C532 H532 120.3 . . ?
C533 C532 C531 119.4(6) . . ?
C533 C532 H532 120.3 . . ?
C532 C533 H533 120.5 . . ?
C534 C533 C532 119.0(6) . . ?
C534 C533 H533 120.5 . . ?
C533 C534 H534 120.7 . . ?
C533 C534 C535 118.5(6) . . ?
C535 C534 H534 120.7 . . ?
N536 C535 C534 123.9(6) . . ?
N536 C535 H535 118.1 . . ?
C534 C535 H535 118.1 . . ?
C612 C611 P6 124.7(5) . . ?
C612 C611 C616 118.9(6) . . ?
C616 C611 P6 116.4(5) . . ?
C611 C612 H612 119.9 . . ?
C611 C612 C613 120.2(6) . . ?
C613 C612 H612 119.9 . . ?
C612 C613 H613 119.8 . . ?
C614 C613 C612 120.4(6) . . ?
C614 C613 H613 119.8 . . ?
C613 C614 H614 120.0 . . ?
C613 C614 C615 119.9(6) . . ?
C615 C614 H614 120.0 . . ?
C614 C615 H615 119.8 . . ?
C614 C615 C616 120.3(7) . . ?
C616 C615 H615 119.8 . . ?
C611 C616 H616 119.8 . . ?
C615 C616 C611 120.3(7) . . ?
C615 C616 H616 119.8 . . ?
C622 C621 P6 123.3(5) . . ?
C626 C621 P6 117.3(5) . . ?
C626 C621 C622 119.4(6) . . ?
C621 C622 H622 120.1 . . ?
C623 C622 C621 119.8(6) . . ?
C623 C622 H622 120.1 . . ?
C622 C623 H623 119.6 . . ?
C624 C623 C622 120.9(7) . . ?
C624 C623 H623 119.6 . . ?
C623 C624 H624 120.2 . . ?
C625 C624 C623 119.5(6) . . ?
C625 C624 H624 120.2 . . ?
C624 C625 H625 119.7 . . ?
C624 C625 C626 120.6(7) . . ?
C626 C625 H625 119.7 . . ?
C621 C626 H626 120.1 . . ?
C625 C626 C621 119.9(6) . . ?
C625 C626 H626 120.1 . . ?
N636 C631 P6 115.2(4) . . ?
N636 C631 C632 121.9(5) . . ?
C632 C631 P6 122.9(5) . . ?
C631 C632 H632 120.3 . . ?
C631 C632 C633 119.3(6) . . ?
C633 C632 H632 120.3 . . ?
C632 C633 H633 120.6 . . ?
C634 C633 C632 118.8(6) . . ?
C634 C633 H633 120.6 . . ?
C633 C634 H634 120.8 . . ?
C633 C634 C635 118.4(6) . . ?
C635 C634 H634 120.8 . . ?
N636 C635 C634 124.4(6) . . ?
N636 C635 H635 117.8 . . ?
C634 C635 H635 117.8 . . ?
Cl1 C3 H3A 109.5 . . ?
Cl1 C3 H3B 109.5 . . ?
Cl2 C3 Cl1 110.7(4) . . ?
Cl2 C3 H3A 109.5 . . ?
Cl2 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
Cl3 C4 H4A 109.4 . . ?
Cl3 C4 H4B 109.4 . . ?
Cl4 C4 Cl3 111.2(5) . . ?
Cl4 C4 H4A 109.4 . . ?
Cl4 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
C5 Cl5 C5 79.1(10) 2_565 . ?
O4 S2 C2 105.3(3) . . ?
O5 S2 O4 115.2(3) . . ?
O5 S2 C2 104.6(4) . . ?
O6 S2 O4 115.0(4) . . ?
O6 S2 O5 113.9(4) . . ?
O6 S2 C2 100.7(4) . . ?
F4 C2 S2 113.7(7) . . ?
F4 C2 F5 103.0(8) . . ?
F4 C2 F6 102.6(7) . . ?
F5 C2 S2 113.5(6) . . ?
F6 C2 S2 114.9(6) . . ?
F6 C2 F5 108.0(7) . . ?
Cl5 C5 Cl5 100.9(10) 2_565 . ?
Cl5 C5 H5A 111.6 . . ?
Cl5 C5 H5A 111.6 2_565 . ?
Cl5 C5 H5B 111.6 2_565 . ?
Cl5 C5 H5B 111.6 . . ?
H5A C5 H5B 109.4 . . ?
O1 S1 O2 113.1(4) . . ?
O1 S1 C1 104.4(4) . . ?
O2 S1 C1 103.8(5) . . ?
O3 S1 O1 115.6(5) . . ?
O3 S1 O2 117.0(5) . . ?
O3 S1 C1 100.2(5) . . ?
F1 C1 S1 111.7(8) . . ?
F1 C1 F2 105.3(9) . . ?
F1 C1 F3 106.8(9) . . ?
F2 C1 S1 111.8(7) . . ?
F3 C1 S1 113.0(7) . . ?
F3 C1 F2 107.8(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 H 1.69(6) . ?
Cu1 HA 1.65(9) . ?
Cu1 HB 1.53(8) . ?
Cu1 Cu2 2.7908(12) 2_675 ?
Cu1 Cu2 2.4304(11) . ?
Cu1 Cu3 2.6733(11) . ?
Cu1 Cu3 2.5008(11) 2_675 ?
Cu1 Cu4 2.7669(11) 2_675 ?
Cu1 P1 2.1995(16) . ?
Cu2 Cu1 2.7907(12) 2_675 ?
Cu2 H 1.70(6) . ?
Cu2 HA 1.67(9) . ?
Cu2 Cu3 2.6657(11) 2_675 ?
Cu2 Cu3 2.4781(11) . ?
Cu2 Cu4 2.9924(12) . ?
Cu2 P2 2.1947(16) . ?
Cu3 Cu1 2.5007(11) 2_675 ?
Cu3 H 1.65(6) . ?
Cu3 Cu2 2.6657(11) 2_675 ?
Cu3 Cu4 2.8121(12) . ?
Cu3 P3 2.1984(16) . ?
Cu4 Cu1 2.7669(11) 2_675 ?
Cu4 N136 2.150(5) 2_675 ?
Cu4 N236 2.143(5) . ?
Cu4 N336 2.100(5) . ?
P1 C111 1.824(6) . ?
P1 C121 1.818(6) . ?
P1 C131 1.849(6) . ?
P2 C211 1.820(6) . ?
P2 C221 1.829(6) . ?
P2 C231 1.838(6) . ?
P3 C311 1.825(6) . ?
P3 C321 1.819(6) . ?
P3 C331 1.841(6) . ?
N136 Cu4 2.150(5) 2_675 ?
N136 C131 1.346(8) . ?
N136 C135 1.338(8) . ?
N236 C231 1.359(7) . ?
N236 C235 1.341(8) . ?
N336 C331 1.354(7) . ?
N336 C335 1.338(8) . ?
C111 C112 1.371(9) . ?
C111 C116 1.401(9) . ?
C112 H112 0.9300 . ?
C112 C113 1.400(10) . ?
C113 H113 0.9300 . ?
C113 C114 1.375(12) . ?
C114 H114 0.9300 . ?
C114 C115 1.373(11) . ?
C115 H115 0.9300 . ?
C115 C116 1.388(10) . ?
C116 H116 0.9300 . ?
C121 C122 1.389(9) . ?
C121 C126 1.389(9) . ?
C122 H122 0.9300 . ?
C122 C123 1.378(10) . ?
C123 H123 0.9300 . ?
C123 C124 1.388(11) . ?
C124 H124 0.9300 . ?
C124 C125 1.385(11) . ?
C125 H125 0.9300 . ?
C125 C126 1.378(10) . ?
C126 H126 0.9300 . ?
C131 C132 1.385(9) . ?
C132 H132 0.9300 . ?
C132 C133 1.381(10) . ?
C133 H133 0.9300 . ?
C133 C134 1.379(10) . ?
C134 H134 0.9300 . ?
C134 C135 1.378(9) . ?
C135 H135 0.9300 . ?
C211 C212 1.380(10) . ?
C211 C216 1.399(10) . ?
C212 H212 0.9300 . ?
C212 C213 1.397(11) . ?
C213 H213 0.9300 . ?
C213 C214 1.357(14) . ?
C214 H214 0.9300 . ?
C214 C215 1.381(13) . ?
C215 H215 0.9300 . ?
C215 C216 1.386(10) . ?
C216 H216 0.9300 . ?
C221 C222 1.382(9) . ?
C221 C226 1.382(9) . ?
C222 H222 0.9300 . ?
C222 C223 1.391(10) . ?
C223 H223 0.9300 . ?
C223 C224 1.379(12) . ?
C224 H224 0.9300 . ?
C224 C225 1.352(12) . ?
C225 H225 0.9300 . ?
C225 C226 1.392(10) . ?
C226 H226 0.9300 . ?
C231 C232 1.381(8) . ?
C232 H232 0.9300 . ?
C232 C233 1.387(9) . ?
C233 H233 0.9300 . ?
C233 C234 1.381(10) . ?
C234 H234 0.9300 . ?
C234 C235 1.387(9) . ?
C235 H235 0.9300 . ?
C311 C312 1.382(9) . ?
C311 C316 1.391(9) . ?
C312 H312 0.9300 . ?
C312 C313 1.381(10) . ?
C313 H313 0.9300 . ?
C313 C314 1.388(12) . ?
C314 H314 0.9300 . ?
C314 C315 1.378(12) . ?
C315 H315 0.9300 . ?
C315 C316 1.372(10) . ?
C316 H316 0.9300 . ?
C321 C322 1.387(9) . ?
C321 C326 1.395(9) . ?
C322 H322 0.9300 . ?
C322 C323 1.379(9) . ?
C323 H323 0.9300 . ?
C323 C324 1.372(10) . ?
C324 H324 0.9300 . ?
C324 C325 1.375(11) . ?
C325 H325 0.9300 . ?
C325 C326 1.388(9) . ?
C326 H326 0.9300 . ?
C331 C332 1.383(8) . ?
C332 H332 0.9300 . ?
C332 C333 1.377(9) . ?
C333 H333 0.9300 . ?
C333 C334 1.383(10) . ?
C334 H334 0.9300 . ?
C334 C335 1.372(9) . ?
C335 H335 0.9300 . ?
Cu5 HD 1.62(8) . ?
Cu5 HE 1.75(8) . ?
Cu5 Cu6 2.6872(11) . ?
Cu5 Cu6 2.4973(11) 2_666 ?
Cu5 Cu7 2.4378(12) . ?
Cu5 Cu7 2.8153(12) 2_666 ?
Cu5 Cu8 2.7778(11) 2_666 ?
Cu5 P4 2.2008(16) . ?
Cu6 Cu5 2.4972(11) 2_666 ?
Cu6 HC 1.69(7) . ?
Cu6 HE 1.68(8) . ?
Cu6 Cu7 2.7160(11) 2_666 ?
Cu6 Cu7 2.5106(12) . ?
Cu6 Cu8 2.8674(12) . ?
Cu6 P5 2.2128(16) . ?
Cu7 Cu5 2.8153(12) 2_666 ?
Cu7 HE 1.90(8) . ?
Cu7 Cu6 2.7161(11) 2_666 ?
Cu7 Cu8 2.9540(12) . ?
Cu7 P6 2.2096(17) . ?
Cu8 Cu5 2.7777(11) 2_666 ?
Cu8 N436 2.140(5) 2_666 ?
Cu8 N536 2.100(5) . ?
Cu8 N636 2.127(5) . ?
P4 C411 1.819(6) . ?
P4 C421 1.833(6) . ?
P4 C431 1.843(6) . ?
P5 C511 1.819(6) . ?
P5 C521 1.827(6) . ?
P5 C531 1.843(6) . ?
P6 C611 1.823(6) . ?
P6 C621 1.829(6) . ?
P6 C631 1.847(6) . ?
N436 Cu8 2.140(5) 2_666 ?
N436 C431 1.356(7) . ?
N436 C435 1.340(8) . ?
N536 C531 1.354(8) . ?
N536 C535 1.342(8) . ?
N636 C631 1.348(8) . ?
N636 C635 1.334(8) . ?
C411 C412 1.376(9) . ?
C411 C416 1.404(9) . ?
C412 H412 0.9300 . ?
C412 C413 1.389(10) . ?
C413 H413 0.9300 . ?
C413 C414 1.367(11) . ?
C414 H414 0.9300 . ?
C414 C415 1.382(11) . ?
C415 H415 0.9300 . ?
C415 C416 1.366(10) . ?
C416 H416 0.9300 . ?
C421 C422 1.386(10) . ?
C421 C426 1.375(10) . ?
C422 H422 0.9300 . ?
C422 C423 1.376(10) . ?
C423 H423 0.9300 . ?
C423 C424 1.391(12) . ?
C424 H424 0.9300 . ?
C424 C425 1.361(12) . ?
C425 H425 0.9300 . ?
C425 C426 1.392(10) . ?
C426 H426 0.9300 . ?
C431 C432 1.391(9) . ?
C432 H432 0.9300 . ?
C432 C433 1.379(10) . ?
C433 H433 0.9300 . ?
C433 C434 1.370(10) . ?
C434 H434 0.9300 . ?
C434 C435 1.390(9) . ?
C435 H435 0.9300 . ?
C511 C512 1.390(9) . ?
C511 C516 1.393(9) . ?
C512 H512 0.9300 . ?
C512 C513 1.394(11) . ?
C513 H513 0.9300 . ?
C513 C514 1.373(12) . ?
C514 H514 0.9300 . ?
C514 C515 1.349(12) . ?
C515 H515 0.9300 . ?
C515 C516 1.396(11) . ?
C516 H516 0.9300 . ?
C521 C522 1.396(9) . ?
C521 C526 1.382(9) . ?
C522 H522 0.9300 . ?
C522 C523 1.384(10) . ?
C523 H523 0.9300 . ?
C523 C524 1.370(13) . ?
C524 H524 0.9300 . ?
C524 C525 1.375(12) . ?
C525 H525 0.9300 . ?
C525 C526 1.398(10) . ?
C526 H526 0.9300 . ?
C531 C532 1.394(9) . ?
C532 H532 0.9300 . ?
C532 C533 1.385(9) . ?
C533 H533 0.9300 . ?
C533 C534 1.376(10) . ?
C534 H534 0.9300 . ?
C534 C535 1.381(9) . ?
C535 H535 0.9300 . ?
C611 C612 1.385(9) . ?
C611 C616 1.392(9) . ?
C612 H612 0.9300 . ?
C612 C613 1.389(9) . ?
C613 H613 0.9300 . ?
C613 C614 1.370(11) . ?
C614 H614 0.9300 . ?
C614 C615 1.375(11) . ?
C615 H615 0.9300 . ?
C615 C616 1.382(10) . ?
C616 H616 0.9300 . ?
C621 C622 1.394(9) . ?
C621 C626 1.393(9) . ?
C622 H622 0.9300 . ?
C622 C623 1.387(9) . ?
C623 H623 0.9300 . ?
C623 C624 1.379(10) . ?
C624 H624 0.9300 . ?
C624 C625 1.377(11) . ?
C625 H625 0.9300 . ?
C625 C626 1.392(10) . ?
C626 H626 0.9300 . ?
C631 C632 1.389(8) . ?
C632 H632 0.9300 . ?
C632 C633 1.390(9) . ?
C633 H633 0.9300 . ?
C633 C634 1.369(10) . ?
C634 H634 0.9300 . ?
C634 C635 1.377(9) . ?
C635 H635 0.9300 . ?
Cl1 C3 1.755(8) . ?
Cl2 C3 1.745(8) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
Cl3 C4 1.763(10) . ?
Cl4 C4 1.762(10) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
Cl5 C5 1.90(2) . ?
Cl5 C5 1.83(2) 2_565 ?
S2 O4 1.428(6) . ?
S2 O5 1.423(6) . ?
S2 O6 1.414(8) . ?
S2 C2 1.757(8) . ?
F4 C2 1.304(11) . ?
F5 C2 1.353(10) . ?
F6 C2 1.309(10) . ?
C5 Cl5 1.83(2) 2_565 ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
S1 O1 1.430(7) . ?
S1 O2 1.431(8) . ?
S1 O3 1.423(10) . ?
S1 C1 1.774(10) . ?
F1 C1 1.320(13) . ?
F2 C1 1.334(11) . ?
F3 C1 1.328(11) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 P1 C111 C112 -107.3(5) . . . . ?
Cu1 P1 C111 C116 61.5(5) . . . . ?
Cu1 P1 C121 C122 10.3(5) . . . . ?
Cu1 P1 C121 C126 -169.7(4) . . . . ?
Cu1 P1 C131 N136 33.5(5) . . . . ?
Cu1 P1 C131 C132 -146.7(5) . . . . ?
Cu2 P2 C211 C212 131.8(6) . . . . ?
Cu2 P2 C211 C216 -40.3(6) . . . . ?
Cu2 P2 C221 C222 163.0(5) . . . . ?
Cu2 P2 C221 C226 -15.8(6) . . . . ?
Cu2 P2 C231 N236 -42.3(5) . . . . ?
Cu2 P2 C231 C232 136.0(5) . . . . ?
Cu3 P3 C311 C312 -63.4(5) . . . . ?
Cu3 P3 C311 C316 106.6(5) . . . . ?
Cu3 P3 C321 C322 -10.1(6) . . . . ?
Cu3 P3 C321 C326 170.4(4) . . . . ?
Cu3 P3 C331 N336 -33.5(5) . . . . ?
Cu3 P3 C331 C332 145.2(5) . . . . ?
Cu4 N136 C131 P1 -4.1(6) 2_675 . . . ?
Cu4 N136 C131 C132 176.2(5) 2_675 . . . ?
Cu4 N136 C135 C134 -177.7(5) 2_675 . . . ?
Cu4 N236 C231 P2 5.0(6) . . . . ?
Cu4 N236 C231 C232 -173.3(4) . . . . ?
Cu4 N236 C235 C234 172.9(5) . . . . ?
Cu4 N336 C331 P3 0.2(6) . . . . ?
Cu4 N336 C331 C332 -178.5(4) . . . . ?
Cu4 N336 C335 C334 177.6(5) . . . . ?
P1 C111 C112 C113 169.9(6) . . . . ?
P1 C111 C116 C115 -171.9(5) . . . . ?
P1 C121 C122 C123 178.1(5) . . . . ?
P1 C121 C126 C125 -178.8(5) . . . . ?
P1 C131 C132 C133 -178.3(6) . . . . ?
P2 C211 C212 C213 -171.2(7) . . . . ?
P2 C211 C216 C215 172.4(6) . . . . ?
P2 C221 C222 C223 -179.5(6) . . . . ?
P2 C221 C226 C225 178.7(6) . . . . ?
P2 C231 C232 C233 -177.2(5) . . . . ?
P3 C311 C312 C313 171.7(6) . . . . ?
P3 C311 C316 C315 -170.9(5) . . . . ?
P3 C321 C322 C323 179.4(5) . . . . ?
P3 C321 C326 C325 -178.1(5) . . . . ?
P3 C331 C332 C333 -178.1(5) . . . . ?
N136 C131 C132 C133 1.5(10) . . . . ?
N236 C231 C232 C233 0.9(9) . . . . ?
N336 C331 C332 C333 0.4(9) . . . . ?
C111 P1 C121 C122 -115.3(5) . . . . ?
C111 P1 C121 C126 64.7(6) . . . . ?
C111 P1 C131 N136 155.1(4) . . . . ?
C111 P1 C131 C132 -25.1(6) . . . . ?
C111 C112 C113 C114 0.5(12) . . . . ?
C112 C111 C116 C115 -2.7(10) . . . . ?
C112 C113 C114 C115 -0.9(13) . . . . ?
C113 C114 C115 C116 -0.5(12) . . . . ?
C114 C115 C116 C111 2.3(11) . . . . ?
C116 C111 C112 C113 1.2(11) . . . . ?
C121 P1 C111 C112 21.9(6) . . . . ?
C121 P1 C111 C116 -169.4(5) . . . . ?
C121 P1 C131 N136 -94.9(5) . . . . ?
C121 P1 C131 C132 84.8(6) . . . . ?
C121 C122 C123 C124 1.7(11) . . . . ?
C122 C121 C126 C125 1.2(9) . . . . ?
C122 C123 C124 C125 -0.8(11) . . . . ?
C123 C124 C125 C126 0.1(11) . . . . ?
C124 C125 C126 C121 -0.3(10) . . . . ?
C126 C121 C122 C123 -1.9(10) . . . . ?
C131 P1 C111 C112 129.8(6) . . . . ?
C131 P1 C111 C116 -61.4(5) . . . . ?
C131 P1 C121 C122 136.2(5) . . . . ?
C131 P1 C121 C126 -43.7(6) . . . . ?
C131 N136 C135 C134 -0.9(9) . . . . ?
C131 C132 C133 C134 -1.3(11) . . . . ?
C132 C133 C134 C135 0.1(11) . . . . ?
C133 C134 C135 N136 1.1(11) . . . . ?
C135 N136 C131 P1 179.4(4) . . . . ?
C135 N136 C131 C132 -0.4(9) . . . . ?
C211 P2 C221 C222 -71.0(6) . . . . ?
C211 P2 C221 C226 110.1(5) . . . . ?
C211 P2 C231 N236 -169.2(4) . . . . ?
C211 P2 C231 C232 9.1(6) . . . . ?
C211 C212 C213 C214 -0.1(14) . . . . ?
C212 C211 C216 C215 -0.1(10) . . . . ?
C212 C213 C214 C215 -1.0(15) . . . . ?
C213 C214 C215 C216 1.4(13) . . . . ?
C214 C215 C216 C211 -0.9(11) . . . . ?
C216 C211 C212 C213 0.6(12) . . . . ?
C221 P2 C211 C212 6.4(7) . . . . ?
C221 P2 C211 C216 -165.7(5) . . . . ?
C221 P2 C231 N236 80.8(5) . . . . ?
C221 P2 C231 C232 -100.9(5) . . . . ?
C221 C222 C223 C224 1.7(12) . . . . ?
C222 C221 C226 C225 -0.2(10) . . . . ?
C222 C223 C224 C225 -1.9(12) . . . . ?
C223 C224 C225 C226 1.0(12) . . . . ?
C224 C225 C226 C221 0.1(12) . . . . ?
C226 C221 C222 C223 -0.7(10) . . . . ?
C231 P2 C211 C212 -101.9(6) . . . . ?
C231 P2 C211 C216 86.0(5) . . . . ?
C231 P2 C221 C222 40.0(6) . . . . ?
C231 P2 C221 C226 -138.9(5) . . . . ?
C231 N236 C235 C234 -0.8(9) . . . . ?
C231 C232 C233 C234 -0.6(9) . . . . ?
C232 C233 C234 C235 -0.4(9) . . . . ?
C233 C234 C235 N236 1.1(10) . . . . ?
C235 N236 C231 P2 178.0(4) . . . . ?
C235 N236 C231 C232 -0.2(8) . . . . ?
C311 P3 C321 C322 113.7(5) . . . . ?
C311 P3 C321 C326 -65.7(6) . . . . ?
C311 P3 C331 N336 -150.9(4) . . . . ?
C311 P3 C331 C332 27.7(6) . . . . ?
C311 C312 C313 C314 -0.8(11) . . . . ?
C312 C311 C316 C315 -0.9(10) . . . . ?
C312 C313 C314 C315 -0.3(12) . . . . ?
C313 C314 C315 C316 0.8(11) . . . . ?
C314 C315 C316 C311 -0.2(11) . . . . ?
C316 C311 C312 C313 1.4(10) . . . . ?
C321 P3 C311 C312 165.8(5) . . . . ?
C321 P3 C311 C316 -24.2(6) . . . . ?
C321 P3 C331 N336 98.2(4) . . . . ?
C321 P3 C331 C332 -83.2(5) . . . . ?
C321 C322 C323 C324 -0.9(10) . . . . ?
C322 C321 C326 C325 2.4(9) . . . . ?
C322 C323 C324 C325 1.8(10) . . . . ?
C323 C324 C325 C326 -0.5(10) . . . . ?
C324 C325 C326 C321 -1.6(10) . . . . ?
C326 C321 C322 C323 -1.1(9) . . . . ?
C331 P3 C311 C312 57.0(5) . . . . ?
C331 P3 C311 C316 -133.0(5) . . . . ?
C331 P3 C321 C322 -137.3(5) . . . . ?
C331 P3 C321 C326 43.2(6) . . . . ?
C331 N336 C335 C334 -0.6(9) . . . . ?
C331 C332 C333 C334 0.6(10) . . . . ?
C332 C333 C334 C335 -1.5(10) . . . . ?
C333 C334 C335 N336 1.6(10) . . . . ?
C335 N336 C331 P3 178.2(4) . . . . ?
C335 N336 C331 C332 -0.4(8) . . . . ?
Cu5 P4 C411 C412 8.5(6) . . . . ?
Cu5 P4 C411 C416 -169.6(5) . . . . ?
Cu5 P4 C421 C422 66.0(6) . . . . ?
Cu5 P4 C421 C426 -102.4(6) . . . . ?
Cu5 P4 C431 N436 33.5(5) . . . . ?
Cu5 P4 C431 C432 -143.8(5) . . . . ?
Cu6 P5 C511 C512 -67.1(6) . . . . ?
Cu6 P5 C511 C516 105.2(5) . . . . ?
Cu6 P5 C521 C522 173.7(5) . . . . ?
Cu6 P5 C521 C526 -6.9(6) . . . . ?
Cu6 P5 C531 N536 -37.4(5) . . . . ?
Cu6 P5 C531 C532 142.0(5) . . . . ?
Cu7 P6 C611 C612 159.8(5) . . . . ?
Cu7 P6 C611 C616 -20.3(6) . . . . ?
Cu7 P6 C621 C622 163.0(4) . . . . ?
Cu7 P6 C621 C626 -17.8(5) . . . . ?
Cu7 P6 C631 N636 -37.4(5) . . . . ?
Cu7 P6 C631 C632 140.8(5) . . . . ?
Cu8 N436 C431 P4 -1.0(6) 2_666 . . . ?
Cu8 N436 C431 C432 176.3(4) 2_666 . . . ?
Cu8 N436 C435 C434 -175.1(5) 2_666 . . . ?
Cu8 N536 C531 P5 2.0(6) . . . . ?
Cu8 N536 C531 C532 -177.5(4) . . . . ?
Cu8 N536 C535 C534 176.8(5) . . . . ?
Cu8 N636 C631 P6 2.6(6) . . . . ?
Cu8 N636 C631 C632 -175.7(4) . . . . ?
Cu8 N636 C635 C634 174.7(5) . . . . ?
P4 C411 C412 C413 -178.8(5) . . . . ?
P4 C411 C416 C415 178.0(5) . . . . ?
P4 C421 C422 C423 -171.1(6) . . . . ?
P4 C421 C426 C425 169.5(6) . . . . ?
P4 C431 C432 C433 176.0(5) . . . . ?
P5 C511 C512 C513 174.9(6) . . . . ?
P5 C511 C516 C515 -172.2(6) . . . . ?
P5 C521 C522 C523 179.3(5) . . . . ?
P5 C521 C526 C525 -179.4(5) . . . . ?
P5 C531 C532 C533 -178.4(5) . . . . ?
P6 C611 C612 C613 -179.4(5) . . . . ?
P6 C611 C616 C615 178.8(6) . . . . ?
P6 C621 C622 C623 178.2(5) . . . . ?
P6 C621 C626 C625 -178.6(5) . . . . ?
P6 C631 C632 C633 -176.8(5) . . . . ?
N436 C431 C432 C433 -1.1(9) . . . . ?
N536 C531 C532 C533 1.1(9) . . . . ?
N636 C631 C632 C633 1.4(9) . . . . ?
C411 P4 C421 C422 -165.6(5) . . . . ?
C411 P4 C421 C426 26.0(6) . . . . ?
C411 P4 C431 N436 -95.5(4) . . . . ?
C411 P4 C431 C432 87.2(6) . . . . ?
C411 C412 C413 C414 0.8(11) . . . . ?
C412 C411 C416 C415 0.0(10) . . . . ?
C412 C413 C414 C415 -0.2(11) . . . . ?
C413 C414 C415 C416 -0.5(12) . . . . ?
C414 C415 C416 C411 0.6(11) . . . . ?
C416 C411 C412 C413 -0.7(10) . . . . ?
C421 P4 C411 C412 -116.2(5) . . . . ?
C421 P4 C411 C416 65.7(6) . . . . ?
C421 P4 C431 N436 153.4(4) . . . . ?
C421 P4 C431 C432 -23.9(6) . . . . ?
C421 C422 C423 C424 2.8(13) . . . . ?
C422 C421 C426 C425 1.1(11) . . . . ?
C422 C423 C424 C425 -1.9(14) . . . . ?
C423 C424 C425 C426 0.7(14) . . . . ?
C424 C425 C426 C421 -0.3(13) . . . . ?
C426 C421 C422 C423 -2.4(11) . . . . ?
C431 P4 C411 C412 135.3(5) . . . . ?
C431 P4 C411 C416 -42.7(6) . . . . ?
C431 P4 C421 C422 -55.7(6) . . . . ?
C431 P4 C421 C426 135.9(6) . . . . ?
C431 N436 C435 C434 0.9(9) . . . . ?
C431 C432 C433 C434 0.2(10) . . . . ?
C432 C433 C434 C435 1.1(10) . . . . ?
C433 C434 C435 N436 -1.7(10) . . . . ?
C435 N436 C431 P4 -176.8(4) . . . . ?
C435 N436 C431 C432 0.5(8) . . . . ?
C511 P5 C521 C522 -59.5(6) . . . . ?
C511 P5 C521 C526 119.9(5) . . . . ?
C511 P5 C531 N536 -160.1(4) . . . . ?
C511 P5 C531 C532 19.3(6) . . . . ?
C511 C512 C513 C514 -3.2(12) . . . . ?
C512 C511 C516 C515 0.2(10) . . . . ?
C512 C513 C514 C515 1.4(13) . . . . ?
C513 C514 C515 C516 1.1(13) . . . . ?
C514 C515 C516 C511 -1.9(13) . . . . ?
C516 C511 C512 C513 2.3(10) . . . . ?
C521 P5 C511 C512 161.9(5) . . . . ?
C521 P5 C511 C516 -25.8(6) . . . . ?
C521 P5 C531 N536 92.4(4) . . . . ?
C521 P5 C531 C532 -88.1(5) . . . . ?
C521 C522 C523 C524 0.7(11) . . . . ?
C522 C521 C526 C525 0.0(10) . . . . ?
C522 C523 C524 C525 -1.2(12) . . . . ?
C523 C524 C525 C526 1.0(11) . . . . ?
C524 C525 C526 C521 -0.4(11) . . . . ?
C526 C521 C522 C523 -0.2(10) . . . . ?
C531 P5 C511 C512 55.2(6) . . . . ?
C531 P5 C511 C516 -132.5(5) . . . . ?
C531 P5 C521 C522 48.5(6) . . . . ?
C531 P5 C521 C526 -132.0(5) . . . . ?
C531 N536 C535 C534 -0.8(9) . . . . ?
C531 C532 C533 C534 -1.1(10) . . . . ?
C532 C533 C534 C535 0.3(10) . . . . ?
C533 C534 C535 N536 0.7(10) . . . . ?
C535 N536 C531 P5 179.4(4) . . . . ?
C535 N536 C531 C532 -0.1(8) . . . . ?
C611 P6 C621 C622 -68.6(6) . . . . ?
C611 P6 C621 C626 110.6(5) . . . . ?
C611 P6 C631 N636 -165.5(4) . . . . ?
C611 P6 C631 C632 12.7(6) . . . . ?
C611 C612 C613 C614 0.2(10) . . . . ?
C612 C611 C616 C615 -1.2(11) . . . . ?
C612 C613 C614 C615 -0.4(12) . . . . ?
C613 C614 C615 C616 -0.2(13) . . . . ?
C614 C615 C616 C611 1.0(13) . . . . ?
C616 C611 C612 C613 0.6(10) . . . . ?
C621 P6 C611 C612 33.8(6) . . . . ?
C621 P6 C611 C616 -146.3(5) . . . . ?
C621 P6 C631 N636 85.0(5) . . . . ?
C621 P6 C631 C632 -96.8(5) . . . . ?
C621 C622 C623 C624 1.3(10) . . . . ?
C622 C621 C626 C625 0.7(9) . . . . ?
C622 C623 C624 C625 -1.3(11) . . . . ?
C623 C624 C625 C626 1.0(11) . . . . ?
C624 C625 C626 C621 -0.7(11) . . . . ?
C626 C621 C622 C623 -1.0(9) . . . . ?
C631 P6 C611 C612 -73.5(6) . . . . ?
C631 P6 C611 C616 106.5(5) . . . . ?
C631 P6 C621 C622 39.4(6) . . . . ?
C631 P6 C621 C626 -141.3(5) . . . . ?
C631 N636 C635 C634 -0.5(9) . . . . ?
C631 C632 C633 C634 -0.6(10) . . . . ?
C632 C633 C634 C635 -0.7(10) . . . . ?
C633 C634 C635 N636 1.3(10) . . . . ?
C635 N636 C631 P6 177.4(4) . . . . ?
C635 N636 C631 C632 -0.8(8) . . . . ?
O4 S2 C2 F4 -54.8(8) . . . . ?
O4 S2 C2 F5 62.5(7) . . . . ?
O4 S2 C2 F6 -172.5(6) . . . . ?
O5 S2 C2 F4 67.0(8) . . . . ?
O5 S2 C2 F5 -175.8(6) . . . . ?
O5 S2 C2 F6 -50.8(7) . . . . ?
O6 S2 C2 F4 -174.6(7) . . . . ?
O6 S2 C2 F5 -57.4(7) . . . . ?
O6 S2 C2 F6 67.6(7) . . . . ?
O1 S1 C1 F1 -56.5(8) . . . . ?
O1 S1 C1 F2 61.3(8) . . . . ?
O1 S1 C1 F3 -176.9(7) . . . . ?
O2 S1 C1 F1 62.2(9) . . . . ?
O2 S1 C1 F2 179.9(7) . . . . ?
O2 S1 C1 F3 -58.2(8) . . . . ?
O3 S1 C1 F1 -176.5(8) . . . . ?
O3 S1 C1 F2 -58.7(8) . . . . ?
O3 S1 C1 F3 63.1(8) . . . . ?
