#------------------------------------------------------------------------------
#$Date: 2020-04-05 13:54:13 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250306 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/35/7703576.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_7703576
loop_
_publ_author_name
'Takeuchi, Katsuhiko'
'Tanaka, Yuto'
'Tanigawa, Ippei'
'Ozawa, Fumiyuki'
'Choi, Jun-Chul'
_publ_section_title
;
 Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky
 fused-ring Eind group: properties and applications to FLP-type bond
 activation and catalytic CO₂ reduction.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3630
_journal_page_last               3637
_journal_paper_doi               10.1039/d0dt00276c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C77 H116 Cu F6 N O1.5 P3'
_chemical_formula_weight         1350.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-02-10 deposited with the CCDC.	2020-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.0298(18)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.6335(4)
_cell_length_b                   18.0324(4)
_cell_length_c                   40.1676(7)
_cell_measurement_reflns_used    58020
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      31.3040
_cell_measurement_theta_min      2.2690
_cell_volume                     14716.8(5)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1264
_diffrn_reflns_av_unetI/netI     0.0805
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            186189
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.500
_diffrn_reflns_theta_max         24.500
_diffrn_reflns_theta_min         1.651
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.421
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87508
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_description       Block
_exptl_crystal_F_000             5800
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.308
_refine_diff_density_min         -0.613
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1725
_refine_ls_number_reflns         24422
_refine_ls_number_restraints     288
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1164
_refine_ls_R_factor_gt           0.0655
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0771P)²+27.3812P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1499
_refine_ls_wR_factor_ref         0.1796
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15531
_reflns_number_total             24422
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00276c2.cif
_cod_data_source_block           complex_6
_cod_depositor_comments
'Adding full bibliography for 7703573--7703576.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C77 H116 Cu F6 N O1.50 P3'
_cod_database_code               7703576
_shelx_shelxl_version_number     2018/1
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.12413(3) 0.29057(3) 0.25811(2) 0.01832(14) Uani 1 1 d . . . . .
P1 P 0.09679(6) 0.33165(6) 0.32836(3) 0.0185(3) Uani 1 1 d . . . . .
P2 P 0.10995(6) 0.31224(7) 0.20162(3) 0.0191(3) Uani 1 1 d . . . . .
N1 N 0.14986(17) 0.39780(18) 0.26353(8) 0.0156(8) Uani 1 1 d . . . . .
C1 C 0.1746(2) 0.3809(2) 0.32474(10) 0.0201(10) Uani 1 1 d . . . . .
H1 H 0.187984 0.411716 0.345171 0.024 Uiso 1 1 calc R U . . .
H1A H 0.209627 0.343695 0.324046 0.024 Uiso 1 1 calc R U . . .
C2 C 0.1281(2) 0.4025(2) 0.20264(11) 0.0203(10) Uani 1 1 d . . . . .
H2 H 0.125248 0.429699 0.182171 0.024 Uiso 1 1 calc R U . . .
C3 C 0.1692(2) 0.4294(2) 0.29411(11) 0.0203(10) Uani 1 1 d . . . . .
C4 C 0.1841(2) 0.5046(2) 0.29707(12) 0.0279(12) Uani 1 1 d . . . . .
H4 H 0.196674 0.526167 0.318812 0.033 Uiso 1 1 calc R U . . .
C5 C 0.1806(3) 0.5474(3) 0.26879(12) 0.0330(13) Uani 1 1 d . . . . .
H5 H 0.190823 0.598777 0.270656 0.040 Uiso 1 1 calc R U . . .
C6 C 0.1620(2) 0.5149(3) 0.23734(12) 0.0260(11) Uani 1 1 d . . . . .
H6 H 0.158647 0.543872 0.217366 0.031 Uiso 1 1 calc R U . . .
C7 C 0.1484(2) 0.4398(2) 0.23530(10) 0.0179(10) Uani 1 1 d . . . . .
C8 C 0.1167(2) 0.3134(2) 0.37454(10) 0.0164(9) Uani 1 1 d . . . . .
C9 C 0.1653(2) 0.2659(2) 0.39287(11) 0.0200(10) Uani 1 1 d . . . . .
C10 C 0.1866(2) 0.2769(2) 0.42743(11) 0.0195(10) Uani 1 1 d . . . . .
C11 C 0.1572(2) 0.3300(2) 0.44494(11) 0.0222(10) Uani 1 1 d . . . . .
H11 H 0.172565 0.337766 0.468374 0.027 Uiso 1 1 calc R U . . .
C12 C 0.1053(2) 0.3713(2) 0.42803(10) 0.0173(10) Uani 1 1 d . . . . .
C13 C 0.0853(2) 0.3645(2) 0.39330(11) 0.0178(10) Uani 1 1 d . . . . .
C14 C 0.1944(2) 0.1929(2) 0.38206(11) 0.0231(11) Uani 1 1 d . . . . .
C15 C 0.2378(2) 0.1655(3) 0.41531(11) 0.0280(11) Uani 1 1 d . . . . .
H15 H 0.218123 0.120305 0.423429 0.034 Uiso 1 1 calc R U . . .
H15A H 0.282268 0.152789 0.411032 0.034 Uiso 1 1 calc R U . . .
C16 C 0.2428(2) 0.2264(3) 0.44235(11) 0.0260(11) Uani 1 1 d . . . . .
C17 C 0.0675(2) 0.4285(3) 0.44463(11) 0.0208(10) Uani 1 1 d . . . . .
C18 C 0.0100(2) 0.4462(3) 0.41559(11) 0.0235(11) Uani 1 1 d . . . . .
H18 H 0.001411 0.500196 0.414810 0.028 Uiso 1 1 calc R U . . .
H18A H -0.030356 0.420581 0.419617 0.028 Uiso 1 1 calc R U . . .
C19 C 0.0277(2) 0.4200(2) 0.38117(11) 0.0206(10) Uani 1 1 d . . . . .
C20 C 0.1381(2) 0.1377(3) 0.37106(12) 0.0282(11) Uani 1 1 d . . . . .
H20 H 0.113573 0.153594 0.348797 0.034 Uiso 1 1 calc R U . . .
H20A H 0.157572 0.088554 0.367894 0.034 Uiso 1 1 calc R U . . .
C21 C 0.0887(3) 0.1283(3) 0.39526(14) 0.0413(14) Uani 1 1 d . . . . .
H21 H 0.112079 0.112919 0.417535 0.062 Uiso 1 1 calc R U . . .
H21A H 0.056111 0.090552 0.386354 0.062 Uiso 1 1 calc R U . . .
H21B H 0.066321 0.175636 0.397351 0.062 Uiso 1 1 calc R U . . .
C22 C 0.2368(2) 0.2012(2) 0.35452(11) 0.0218(10) Uani 1 1 d . . . . .
H22 H 0.210446 0.226844 0.334921 0.026 Uiso 1 1 calc R U . . .
H22A H 0.274776 0.233413 0.363304 0.026 Uiso 1 1 calc R U . . .
C23 C 0.2629(3) 0.1287(3) 0.34213(12) 0.0322(12) Uani 1 1 d . . . . .
H23 H 0.284353 0.099707 0.361575 0.048 Uiso 1 1 calc R U . . .
H23A H 0.294728 0.139874 0.327366 0.048 Uiso 1 1 calc R U . . .
H23B H 0.226187 0.100223 0.329508 0.048 Uiso 1 1 calc R U . . .
C24 C 0.2334(3) 0.1958(3) 0.47686(12) 0.0383(14) Uani 1 1 d . . . . .
H24 H 0.189978 0.170963 0.474198 0.046 Uiso 1 1 calc R U . . .
H24A H 0.232695 0.237846 0.492633 0.046 Uiso 1 1 calc R U . . .
C25 C 0.2869(3) 0.1403(3) 0.49284(13) 0.0475(16) Uani 1 1 d . . . . .
H25 H 0.286366 0.096968 0.478052 0.071 Uiso 1 1 calc R U . . .
H25A H 0.278051 0.124447 0.514957 0.071 Uiso 1 1 calc R U . . .
H25B H 0.330129 0.164183 0.495633 0.071 Uiso 1 1 calc R U . . .
C26 C 0.3092(3) 0.2673(3) 0.44444(14) 0.0402(14) Uani 1 1 d . . . . .
H26 H 0.344873 0.230253 0.449766 0.048 Uiso 1 1 calc R U . . .
H26A H 0.311393 0.287566 0.421753 0.048 Uiso 1 1 calc R U . . .
C27 C 0.3234(3) 0.3299(3) 0.46972(16) 0.0559(17) Uani 1 1 d . . . . .
H27 H 0.287941 0.366612 0.465407 0.084 Uiso 1 1 calc R U . . .
H27A H 0.365248 0.353481 0.467482 0.084 Uiso 1 1 calc R U . . .
H27B H 0.326342 0.310151 0.492666 0.084 Uiso 1 1 calc R U . . .
C28 C 0.0445(2) 0.3982(3) 0.47639(11) 0.0282(12) Uani 1 1 d . . . . .
H28 H 0.083753 0.391837 0.494241 0.034 Uiso 1 1 calc R U . . .
H28A H 0.016222 0.436170 0.484466 0.034 Uiso 1 1 calc R U . . .
C29 C 0.0071(3) 0.3255(3) 0.47248(13) 0.0388(14) Uani 1 1 d . . . . .
H29 H -0.035285 0.332725 0.457462 0.058 Uiso 1 1 calc R U . . .
H29A H -0.000581 0.308707 0.494668 0.058 Uiso 1 1 calc R U . . .
H29B H 0.032824 0.288187 0.462772 0.058 Uiso 1 1 calc R U . . .
C30 C 0.1124(2) 0.4962(2) 0.45432(11) 0.0237(11) Uani 1 1 d . . . . .
H30 H 0.153701 0.478817 0.468524 0.028 Uiso 1 1 calc R U . . .
H30A H 0.124146 0.517194 0.433364 0.028 Uiso 1 1 calc R U . . .
C31 C 0.0841(2) 0.5584(3) 0.47315(12) 0.0323(12) Uani 1 1 d . . . . .
H31 H 0.039788 0.570743 0.461335 0.048 Uiso 1 1 calc R U . . .
H31A H 0.112408 0.602231 0.474010 0.048 Uiso 1 1 calc R U . . .
H31B H 0.081951 0.542085 0.496203 0.048 Uiso 1 1 calc R U . . .
C32 C -0.0335(2) 0.3840(3) 0.35990(12) 0.0262(11) Uani 1 1 d . . . . .
H32 H -0.071587 0.417293 0.360131 0.031 Uiso 1 1 calc R U . . .
H32A H -0.026353 0.380531 0.336212 0.031 Uiso 1 1 calc R U . . .
C33 C -0.0514(3) 0.3081(3) 0.37100(13) 0.0391(13) Uani 1 1 d . . . . .
H33 H -0.018539 0.272079 0.366374 0.059 Uiso 1 1 calc R U . . .
H33A H -0.094823 0.294067 0.358574 0.059 Uiso 1 1 calc R U . . .
H33B H -0.052465 0.308778 0.395298 0.059 Uiso 1 1 calc R U . . .
C34 C 0.0518(2) 0.4863(2) 0.36221(11) 0.0236(11) Uani 1 1 d . . . . .
H34 H 0.090937 0.507930 0.376728 0.028 Uiso 1 1 calc R U . . .
H34A H 0.066138 0.467233 0.341538 0.028 Uiso 1 1 calc R U . . .
C35 C 0.0017(2) 0.5483(3) 0.35194(12) 0.0312(12) Uani 1 1 d . . . . .
H35 H -0.037534 0.527822 0.337638 0.047 Uiso 1 1 calc R U . . .
H35A H 0.021202 0.586424 0.339359 0.047 Uiso 1 1 calc R U . . .
H35B H -0.010587 0.570365 0.372247 0.047 Uiso 1 1 calc R U . . .
C36 C 0.0786(2) 0.2881(2) 0.15749(10) 0.0160(9) Uani 1 1 d . . . . .
C37 C 0.1183(2) 0.2492(2) 0.13824(10) 0.0160(9) Uani 1 1 d . . . . .
C38 C 0.0948(2) 0.2321(2) 0.10466(10) 0.0162(9) Uani 1 1 d . . . . .
C39 C 0.0318(2) 0.2521(2) 0.08940(10) 0.0201(10) Uani 1 1 d . . . . .
H39 H 0.016436 0.241009 0.066260 0.024 Uiso 1 1 calc R U . . .
C40 C -0.0085(2) 0.2887(2) 0.10835(11) 0.0178(10) Uani 1 1 d . . . . .
C41 C 0.0140(2) 0.3066(2) 0.14231(10) 0.0165(9) Uani 1 1 d . . . . .
C42 C 0.1864(2) 0.2146(2) 0.14978(10) 0.0196(10) Uani 1 1 d . . . . .
C43 C 0.2063(2) 0.1895(3) 0.11609(10) 0.0194(10) Uani 1 1 d . . . . .
H43 H 0.225688 0.139120 0.118677 0.023 Uiso 1 1 calc R U . . .
H43A H 0.239696 0.223792 0.109863 0.023 Uiso 1 1 calc R U . . .
C44 C 0.1443(2) 0.1892(2) 0.08800(10) 0.0175(10) Uani 1 1 d . . . . .
C45 C -0.0787(2) 0.3152(3) 0.09596(11) 0.0237(11) Uani 1 1 d . . . . .
C46 C -0.1017(2) 0.3322(3) 0.12959(12) 0.0259(11) Uani 1 1 d . . . . .
H46 H -0.127385 0.289822 0.136094 0.031 Uiso 1 1 calc R U . . .
H46A H -0.130443 0.376536 0.126995 0.031 Uiso 1 1 calc R U . . .
C47 C -0.0406(2) 0.3463(2) 0.15750(11) 0.0213(10) Uani 1 1 d . . . . .
C48 C 0.1776(2) 0.1476(2) 0.17260(11) 0.0227(10) Uani 1 1 d . . . . .
H48 H 0.156088 0.165350 0.191307 0.027 Uiso 1 1 calc R U . . .
H48A H 0.147061 0.112045 0.159146 0.027 Uiso 1 1 calc R U . . .
C49 C 0.2394(3) 0.1060(3) 0.18782(13) 0.0348(13) Uani 1 1 d . . . . .
H49 H 0.264876 0.094294 0.170038 0.052 Uiso 1 1 calc R U . . .
H49A H 0.227443 0.059934 0.198168 0.052 Uiso 1 1 calc R U . . .
H49B H 0.266048 0.136904 0.205087 0.052 Uiso 1 1 calc R U . . .
C50 C 0.2383(2) 0.2681(3) 0.16916(11) 0.0247(11) Uani 1 1 d . . . . .
H50 H 0.227587 0.276614 0.191934 0.030 Uiso 1 1 calc R U . . .
H50A H 0.281788 0.243401 0.172201 0.030 Uiso 1 1 calc R U . . .
C51 C 0.2443(2) 0.3430(3) 0.15269(12) 0.0315(12) Uani 1 1 d . . . . .
H51 H 0.260919 0.336119 0.131477 0.047 Uiso 1 1 calc R U . . .
H51A H 0.274917 0.374402 0.167969 0.047 Uiso 1 1 calc R U . . .
H51B H 0.201016 0.366866 0.147997 0.047 Uiso 1 1 calc R U . . .
C52 C 0.1179(2) 0.1103(3) 0.07957(11) 0.0234(11) Uani 1 1 d . . . . .
H52 H 0.109093 0.087044 0.100654 0.028 Uiso 1 1 calc R U . . .
H52A H 0.075315 0.114270 0.063910 0.028 Uiso 1 1 calc R U . . .
C53 C 0.1630(2) 0.0586(3) 0.06364(12) 0.0274(11) Uani 1 1 d . . . . .
H53 H 0.168351 0.078131 0.041514 0.041 Uiso 1 1 calc R U . . .
H53A H 0.143283 0.009065 0.060840 0.041 Uiso 1 1 calc R U . . .
H53B H 0.206035 0.055654 0.078384 0.041 Uiso 1 1 calc R U . . .
C54 C 0.1555(2) 0.2283(3) 0.05528(11) 0.0241(11) Uani 1 1 d . . . . .
H54 H 0.192553 0.203514 0.047102 0.029 Uiso 1 1 calc R U . . .
H54A H 0.115735 0.221211 0.037841 0.029 Uiso 1 1 calc R U . . .
C55 C 0.1703(3) 0.3108(3) 0.05839(12) 0.0330(12) Uani 1 1 d . . . . .
H55 H 0.135019 0.336016 0.067480 0.050 Uiso 1 1 calc R U . . .
H55A H 0.173028 0.331141 0.036053 0.050 Uiso 1 1 calc R U . . .
H55B H 0.212231 0.318566 0.073652 0.050 Uiso 1 1 calc R U . . .
C56 C -0.1217(2) 0.2556(3) 0.07499(12) 0.0315(12) Uani 1 1 d . . . . .
H56 H -0.167604 0.273853 0.070306 0.038 Uiso 1 1 calc R U . . .
H56A H -0.106711 0.250573 0.052979 0.038 Uiso 1 1 calc R U . . .
C57 C -0.1217(3) 0.1789(3) 0.09073(14) 0.0368(13) Uani 1 1 d . . . . .
H57 H -0.077834 0.156889 0.092630 0.055 Uiso 1 1 calc R U . . .
H57A H -0.153916 0.147412 0.076434 0.055 Uiso 1 1 calc R U . . .
H57B H -0.133523 0.183052 0.113258 0.055 Uiso 1 1 calc R U . . .
C58 C -0.0749(2) 0.3846(3) 0.07371(12) 0.0306(12) Uani 1 1 d . . . . .
H58 H -0.045541 0.421313 0.087056 0.037 Uiso 1 1 calc R U . . .
H58A H -0.054359 0.370076 0.054166 0.037 Uiso 1 1 calc R U . . .
C59 C -0.1412(3) 0.4225(3) 0.06024(16) 0.0497(16) Uani 1 1 d . . . . .
H59 H -0.169192 0.388601 0.044934 0.075 Uiso 1 1 calc R U . . .
H59A H -0.133533 0.467732 0.047998 0.075 Uiso 1 1 calc R U . . .
H59B H -0.163197 0.435207 0.079240 0.075 Uiso 1 1 calc R U . . .
C60 C -0.0515(2) 0.3143(3) 0.19161(12) 0.0278(11) Uani 1 1 d . . . . .
H60 H -0.016482 0.333831 0.209467 0.033 Uiso 1 1 calc R U . . .
H60A H -0.093991 0.333360 0.196293 0.033 Uiso 1 1 calc R U . . .
C61 C -0.0521(3) 0.2306(3) 0.19470(13) 0.0368(13) Uani 1 1 d . . . . .
H61 H -0.083926 0.209773 0.176091 0.055 Uiso 1 1 calc R U . . .
H61A H -0.064567 0.216772 0.216315 0.055 Uiso 1 1 calc R U . . .
H61B H -0.008130 0.211112 0.193689 0.055 Uiso 1 1 calc R U . . .
C62 C -0.0260(2) 0.4305(2) 0.16154(12) 0.0283(11) Uani 1 1 d . . . . .
H62 H 0.012990 0.437480 0.179451 0.034 Uiso 1 1 calc R U . . .
H62A H -0.014717 0.449492 0.140148 0.034 Uiso 1 1 calc R U . . .
C63 C -0.0824(3) 0.4766(3) 0.17038(13) 0.0380(14) Uani 1 1 d . . . . .
H63 H -0.119081 0.476590 0.151238 0.057 Uiso 1 1 calc R U . . .
H63A H -0.067448 0.527623 0.175359 0.057 Uiso 1 1 calc R U . . .
H63B H -0.097128 0.455305 0.190252 0.057 Uiso 1 1 calc R U . . .
C64 C 0.1028(2) 0.2523(2) 0.30235(10) 0.0182(10) Uani 1 1 d . . . . .
C65 C 0.0935(2) 0.2000(2) 0.28219(10) 0.0185(10) Uani 1 1 d . . . . .
C66 C 0.0812(2) 0.1281(2) 0.26574(10) 0.0193(10) Uani 1 1 d . . . . .
C67 C 0.1331(2) 0.0884(3) 0.25626(11) 0.0250(11) Uani 1 1 d . . . . .
H67 H 0.176152 0.109000 0.259756 0.030 Uiso 1 1 calc R U . . .
C68 C 0.1217(3) 0.0192(3) 0.24179(11) 0.0286(12) Uani 1 1 d . . . . .
H68 H 0.157120 -0.008302 0.235713 0.034 Uiso 1 1 calc R U . . .
C69 C 0.0588(3) -0.0102(3) 0.23612(12) 0.0318(12) Uani 1 1 d . . . . .
H69 H 0.051235 -0.057920 0.226188 0.038 Uiso 1 1 calc R U . . .
C70 C 0.0071(3) 0.0295(3) 0.24484(12) 0.0318(12) Uani 1 1 d . . . . .
H70 H -0.036030 0.009307 0.240543 0.038 Uiso 1 1 calc R U . . .
C71 C 0.0178(2) 0.0988(2) 0.25984(11) 0.0255(11) Uani 1 1 d . . . . .
H71 H -0.017754 0.125958 0.266007 0.031 Uiso 1 1 calc R U . . .
Cu2 Cu 0.62504(3) 0.25645(3) 0.26271(2) 0.01981(14) Uani 1 1 d . . . . .
P3 P 0.59494(6) 0.21883(6) 0.33247(3) 0.0191(3) Uani 1 1 d . . . . .
P4 P 0.61135(6) 0.23294(7) 0.20645(3) 0.0199(3) Uani 1 1 d . . . . .
N2 N 0.64910(17) 0.14873(19) 0.26937(9) 0.0176(8) Uani 1 1 d . . . . .
C72 C 0.6728(2) 0.1681(2) 0.33014(11) 0.0215(10) Uani 1 1 d . . . . .
H72 H 0.708379 0.204581 0.329429 0.026 Uiso 1 1 calc R U . . .
H72A H 0.685129 0.137896 0.350844 0.026 Uiso 1 1 calc R U . . .
C73 C 0.6279(2) 0.1425(2) 0.20843(11) 0.0207(10) Uani 1 1 d . . . . .
H73 H 0.625156 0.114486 0.188196 0.025 Uiso 1 1 calc R U . . .
C74 C 0.6670(2) 0.1186(2) 0.29984(11) 0.0200(10) Uani 1 1 d . . . . .
C75 C 0.6811(2) 0.0432(3) 0.30378(12) 0.0277(11) Uani 1 1 d . . . . .
H75 H 0.693014 0.022529 0.325745 0.033 Uiso 1 1 calc R U . . .
C76 C 0.6775(3) -0.0008(3) 0.27573(12) 0.0341(13) Uani 1 1 d . . . . .
H76 H 0.686254 -0.052488 0.278026 0.041 Uiso 1 1 calc R U . . .
C77 C 0.6609(2) 0.0313(3) 0.24361(12) 0.0284(12) Uani 1 1 d . . . . .
H77 H 0.659366 0.001913 0.223860 0.034 Uiso 1 1 calc R U . . .
C78 C 0.6466(2) 0.1063(2) 0.24100(11) 0.0205(10) Uani 1 1 d . . . . .
C79 C 0.6097(2) 0.2382(2) 0.37875(10) 0.0170(10) Uani 1 1 d . . . . .
C80 C 0.5760(2) 0.1862(2) 0.39595(10) 0.0175(10) Uani 1 1 d . . . . .
C81 C 0.5909(2) 0.1813(2) 0.43117(10) 0.0171(10) Uani 1 1 d . . . . .
C82 C 0.6380(2) 0.2263(3) 0.44976(11) 0.0235(11) Uani 1 1 d . . . . .
H82 H 0.649661 0.220192 0.473543 0.028 Uiso 1 1 calc R U . . .
C83 C 0.6677(2) 0.2803(2) 0.43338(11) 0.0214(10) Uani 1 1 d . . . . .
C84 C 0.6547(2) 0.2878(2) 0.39831(11) 0.0204(10) Uani 1 1 d . . . . .
C85 C 0.5204(2) 0.1301(2) 0.38239(11) 0.0212(10) Uani 1 1 d . . . . .
C86 C 0.4983(2) 0.1039(3) 0.41556(11) 0.0266(11) Uani 1 1 d . . . . .
H86 H 0.456743 0.128920 0.418057 0.032 Uiso 1 1 calc R U . . .
H86A H 0.490267 0.049721 0.414555 0.032 Uiso 1 1 calc R U . . .
C87 C 0.5517(2) 0.1221(3) 0.44597(11) 0.0223(10) Uani 1 1 d . . . . .
C88 C 0.7157(2) 0.3374(3) 0.45127(12) 0.0283(12) Uani 1 1 d . . . . .
C89 C 0.7289(2) 0.3862(3) 0.42155(12) 0.0303(12) Uani 1 1 d . . . . .
H89 H 0.776401 0.385141 0.420366 0.036 Uiso 1 1 calc R U . . .
H89A H 0.716506 0.438177 0.425378 0.036 Uiso 1 1 calc R U . . .
C90 C 0.6884(2) 0.3577(3) 0.38750(11) 0.0251(11) Uani 1 1 d . . . . .
C91 C 0.4609(2) 0.1644(3) 0.35918(12) 0.0272(11) Uani 1 1 d . . . . .
H91 H 0.471264 0.168389 0.336084 0.033 Uiso 1 1 calc R U . . .
H91A H 0.423003 0.130331 0.358095 0.033 Uiso 1 1 calc R U . . .
C92 C 0.4406(3) 0.2409(3) 0.37009(13) 0.0400(14) Uani 1 1 d . . . . .
H92 H 0.433673 0.238723 0.393602 0.060 Uiso 1 1 calc R U . . .
H92A H 0.399632 0.256176 0.355493 0.060 Uiso 1 1 calc R U . . .
H92B H 0.475325 0.276881 0.368174 0.060 Uiso 1 1 calc R U . . .
C93 C 0.5476(2) 0.0638(3) 0.36419(12) 0.0264(11) Uani 1 1 d . . . . .
H93 H 0.564875 0.083311 0.344423 0.032 Uiso 1 1 calc R U . . .
H93A H 0.585037 0.041868 0.379821 0.032 Uiso 1 1 calc R U . . .
C94 C 0.4983(3) 0.0022(3) 0.35203(12) 0.0351(13) Uani 1 1 d . . . . .
H94 H 0.483348 -0.020542 0.371524 0.053 Uiso 1 1 calc R U . . .
H94A H 0.519415 -0.035468 0.339972 0.053 Uiso 1 1 calc R U . . .
H94B H 0.460417 0.023144 0.336790 0.053 Uiso 1 1 calc R U . . .
C95 C 0.5230(2) 0.1499(3) 0.47669(12) 0.0297(12) Uani 1 1 d . . . . .
H95 H 0.488608 0.114409 0.480752 0.036 Uiso 1 1 calc R U . . .
H95A H 0.558507 0.148197 0.496747 0.036 Uiso 1 1 calc R U . . .
C96 C 0.4939(3) 0.2259(3) 0.47449(16) 0.0563(17) Uani 1 1 d . . . . .
H96 H 0.528655 0.262682 0.474015 0.084 Uiso 1 1 calc R U . . .
H96A H 0.472839 0.234827 0.494197 0.084 Uiso 1 1 calc R U . . .
H96B H 0.460951 0.230080 0.453806 0.084 Uiso 1 1 calc R U . . .
C97 C 0.5986(3) 0.0554(3) 0.45724(13) 0.0325(12) Uani 1 1 d . . . . .
H97 H 0.615234 0.036604 0.437153 0.039 Uiso 1 1 calc R U . . .
H97A H 0.636887 0.073920 0.473397 0.039 Uiso 1 1 calc R U . . .
C98 C 0.5688(3) -0.0095(3) 0.47359(15) 0.0499(16) Uani 1 1 d . . . . .
H98 H 0.557659 0.006391 0.495230 0.075 Uiso 1 1 calc R U . . .
H98A H 0.600753 -0.050160 0.477460 0.075 Uiso 1 1 calc R U . . .
H98B H 0.528939 -0.026433 0.458614 0.075 Uiso 1 1 calc R U . . .
C99 C 0.6813(3) 0.3823(3) 0.47630(12) 0.0348(13) Uani 1 1 d . . . . .
H99 H 0.640838 0.404966 0.463418 0.042 Uiso 1 1 calc R U . . .
H99A H 0.667587 0.347310 0.492762 0.042 Uiso 1 1 calc R U . . .
C100 C 0.7226(3) 0.4434(3) 0.49585(14) 0.0504(16) Uani 1 1 d . . . . .
H100 H 0.758193 0.421094 0.512095 0.076 Uiso 1 1 calc R U . . .
H101 H 0.694754 0.473581 0.507965 0.076 Uiso 1 1 calc R U . . .
H102 H 0.741405 0.474829 0.480043 0.076 Uiso 1 1 calc R U . . .
C101 C 0.7777(3) 0.3004(3) 0.47065(16) 0.0517(16) Uani 1 1 d . . . . .
H103 H 0.809388 0.339770 0.479662 0.062 Uiso 1 1 calc R U . . .
H104 H 0.765657 0.273717 0.490237 0.062 Uiso 1 1 calc R U . . .
C102 C 0.8115(3) 0.2472(4) 0.45090(19) 0.070(2) Uani 1 1 d . . . . .
H105 H 0.779274 0.211915 0.439152 0.104 Uiso 1 1 calc R U . . .
H106 H 0.845532 0.220311 0.466288 0.104 Uiso 1 1 calc R U . . .
H107 H 0.831780 0.274554 0.434301 0.104 Uiso 1 1 calc R U . . .
C103 C 0.6358(2) 0.4154(3) 0.37293(12) 0.0297(12) Uani 1 1 d . . . . .
H108 H 0.658641 0.462059 0.369002 0.036 Uiso 1 1 calc R U . . .
H109 H 0.613245 0.397370 0.350619 0.036 Uiso 1 1 calc R U . . .
C104 C 0.5833(3) 0.4337(3) 0.39423(14) 0.0412(14) Uani 1 1 d . . . . .
H110 H 0.561393 0.387855 0.399351 0.062 Uiso 1 1 calc R U . . .
H111 H 0.550712 0.467456 0.381628 0.062 Uiso 1 1 calc R U . . .
H112 H 0.604017 0.457352 0.415375 0.062 Uiso 1 1 calc R U . . .
C105 C 0.7350(2) 0.3425(3) 0.36234(12) 0.0281(11) Uani 1 1 d . . . . .
H113 H 0.769020 0.306694 0.372707 0.034 Uiso 1 1 calc R U . . .
H114 H 0.709557 0.318775 0.341940 0.034 Uiso 1 1 calc R U . . .
C106 C 0.7693(3) 0.4112(3) 0.35150(14) 0.0416(14) Uani 1 1 d . . . . .
H115 H 0.736445 0.444316 0.338659 0.062 Uiso 1 1 calc R U . . .
H116 H 0.801103 0.396203 0.337296 0.062 Uiso 1 1 calc R U . . .
H117 H 0.792234 0.437060 0.371585 0.062 Uiso 1 1 calc R U . . .
C107 C 0.5817(2) 0.2572(2) 0.16219(10) 0.0184(10) Uani 1 1 d . . . . .
C108 C 0.5168(2) 0.2408(2) 0.14661(10) 0.0186(10) Uani 1 1 d . . . . .
C109 C 0.4962(2) 0.2584(2) 0.11232(11) 0.0202(10) Uani 1 1 d . . . . .
C110 C 0.5382(2) 0.2919(2) 0.09376(11) 0.0220(10) Uani 1 1 d . . . . .
H118 H 0.523996 0.302205 0.070436 0.026 Uiso 1 1 calc R U . . .
C111 C 0.6013(2) 0.3102(2) 0.10946(10) 0.0184(10) Uani 1 1 d . . . . .
C112 C 0.6234(2) 0.2945(2) 0.14348(10) 0.0177(10) Uani 1 1 d . . . . .
C113 C 0.4605(2) 0.2055(2) 0.16135(11) 0.0212(10) Uani 1 1 d . . . . .
C114 C 0.4010(2) 0.2230(3) 0.13339(12) 0.0269(11) Uani 1 1 d . . . . .
H119 H 0.369419 0.181191 0.131077 0.032 Uiso 1 1 calc R U . . .
H120 H 0.378122 0.267960 0.139527 0.032 Uiso 1 1 calc R U . . .
C115 C 0.4251(2) 0.2357(3) 0.09973(11) 0.0249(11) Uani 1 1 d . . . . .
C116 C 0.6521(2) 0.3525(3) 0.09353(11) 0.0215(10) Uani 1 1 d . . . . .
C117 C 0.7129(2) 0.3532(3) 0.12217(10) 0.0212(10) Uani 1 1 d . . . . .
H121 H 0.731744 0.403799 0.124847 0.025 Uiso 1 1 calc R U . . .
H122 H 0.747020 0.319214 0.116472 0.025 Uiso 1 1 calc R U . . .
C118 C 0.6914(2) 0.3280(3) 0.15567(11) 0.0199(10) Uani 1 1 d . . . . .
C119 C 0.4500(2) 0.2387(3) 0.19508(11) 0.0263(11) Uani 1 1 d . . . . .
H123 H 0.407045 0.221014 0.199713 0.032 Uiso 1 1 calc R U . . .
H124 H 0.484445 0.218722 0.213098 0.032 Uiso 1 1 calc R U . . .
C120 C 0.4511(3) 0.3224(3) 0.19787(13) 0.0374(13) Uani 1 1 d . . . . .
H125 H 0.495157 0.340764 0.196310 0.056 Uiso 1 1 calc R U . . .
H126 H 0.439799 0.337128 0.219651 0.056 Uiso 1 1 calc R U . . .
H127 H 0.418965 0.343607 0.179475 0.056 Uiso 1 1 calc R U . . .
C121 C 0.4715(2) 0.1204(3) 0.16539(12) 0.0272(11) Uani 1 1 d . . . . .
H128 H 0.485383 0.101171 0.144653 0.033 Uiso 1 1 calc R U . . .
H129 H 0.508053 0.111608 0.184452 0.033 Uiso 1 1 calc R U . . .
C122 C 0.4126(3) 0.0769(3) 0.17159(13) 0.0394(14) Uani 1 1 d . . . . .
H130 H 0.397251 0.096473 0.191595 0.059 Uiso 1 1 calc R U . . .
H131 H 0.424893 0.024626 0.175320 0.059 Uiso 1 1 calc R U . . .
H132 H 0.377370 0.081054 0.151892 0.059 Uiso 1 1 calc R U . . .
C123 C 0.3850(2) 0.2962(3) 0.07793(13) 0.0320(12) Uani 1 1 d . . . . .
H133 H 0.400643 0.298733 0.056000 0.038 Uiso 1 1 calc R U . . .
H134 H 0.338402 0.280408 0.073185 0.038 Uiso 1 1 calc R U . . .
C124 C 0.3879(3) 0.3738(3) 0.09278(14) 0.0422(14) Uani 1 1 d . . . . .
H135 H 0.374246 0.372229 0.114945 0.063 Uiso 1 1 calc R U . . .
H136 H 0.358331 0.406478 0.077658 0.063 Uiso 1 1 calc R U . . .
H137 H 0.433041 0.392691 0.095337 0.063 Uiso 1 1 calc R U . . .
C125 C 0.4245(2) 0.1645(3) 0.07829(12) 0.0296(12) Uani 1 1 d . . . . .
H138 H 0.443555 0.176424 0.057952 0.036 Uiso 1 1 calc R U . . .
H139 H 0.453750 0.127549 0.091574 0.036 Uiso 1 1 calc R U . . .
C126 C 0.3573(3) 0.1286(3) 0.06682(14) 0.0430(14) Uani 1 1 d . . . . .
H140 H 0.338900 0.113328 0.086669 0.065 Uiso 1 1 calc R U . . .
H141 H 0.362202 0.085001 0.052884 0.065 Uiso 1 1 calc R U . . .
H142 H 0.327632 0.164302 0.053549 0.065 Uiso 1 1 calc R U . . .
C127 C 0.6257(2) 0.4313(3) 0.08463(13) 0.0293(12) Uani 1 1 d . . . . .
H143 H 0.582659 0.426862 0.069357 0.035 Uiso 1 1 calc R U . . .
H144 H 0.617533 0.455393 0.105669 0.035 Uiso 1 1 calc R U . . .
C128 C 0.6696(3) 0.4826(3) 0.06785(15) 0.0432(14) Uani 1 1 d . . . . .
H145 H 0.711346 0.490710 0.083288 0.065 Uiso 1 1 calc R U . . .
H146 H 0.647380 0.530300 0.062581 0.065 Uiso 1 1 calc R U . . .
H147 H 0.678334 0.459746 0.046939 0.065 Uiso 1 1 calc R U . . .
C129 C 0.6664(2) 0.3141(3) 0.06131(11) 0.0289(12) Uani 1 1 d . . . . .
H148 H 0.627719 0.320646 0.043162 0.035 Uiso 1 1 calc R U . . .
H149 H 0.704110 0.339413 0.053996 0.035 Uiso 1 1 calc R U . . .
C130 C 0.6819(3) 0.2318(3) 0.06496(12) 0.0359(13) Uani 1 1 d . . . . .
H150 H 0.721831 0.224575 0.081806 0.054 Uiso 1 1 calc R U . . .
H151 H 0.688727 0.211809 0.043150 0.054 Uiso 1 1 calc R U . . .
H152 H 0.645013 0.205889 0.072274 0.054 Uiso 1 1 calc R U . . .
C131 C 0.6822(2) 0.3954(3) 0.17821(11) 0.0234(11) Uani 1 1 d . . . . .
H153 H 0.653111 0.431721 0.164420 0.028 Uiso 1 1 calc R U . . .
H154 H 0.659433 0.378468 0.196576 0.028 Uiso 1 1 calc R U . . .
C132 C 0.7459(3) 0.4353(3) 0.19419(13) 0.0345(13) Uani 1 1 d . . . . .
H155 H 0.773152 0.401732 0.209996 0.052 Uiso 1 1 calc R U . . .
H156 H 0.735016 0.479382 0.206368 0.052 Uiso 1 1 calc R U . . .
H157 H 0.770291 0.450206 0.176398 0.052 Uiso 1 1 calc R U . . .
C133 C 0.7419(2) 0.2747(3) 0.17553(11) 0.0227(10) Uani 1 1 d . . . . .
H158 H 0.785601 0.298868 0.178895 0.027 Uiso 1 1 calc R U . . .
H159 H 0.730170 0.266878 0.198151 0.027 Uiso 1 1 calc R U . . .
C134 C 0.7476(2) 0.1993(3) 0.15934(12) 0.0290(12) Uani 1 1 d . . . . .
H160 H 0.704979 0.173959 0.156402 0.044 Uiso 1 1 calc R U . . .
H161 H 0.780718 0.169467 0.173924 0.044 Uiso 1 1 calc R U . . .
H162 H 0.760821 0.205924 0.137242 0.044 Uiso 1 1 calc R U . . .
C135 C 0.6035(2) 0.2974(2) 0.30642(11) 0.0188(10) Uani 1 1 d . . . . .
C136 C 0.5957(2) 0.3491(2) 0.28601(11) 0.0208(10) Uani 1 1 d . . . . .
C137 C 0.5859(2) 0.4201(2) 0.26891(10) 0.0216(10) Uani 1 1 d . . . . .
C138 C 0.5230(2) 0.4504(3) 0.26118(11) 0.0274(11) Uani 1 1 d . . . . .
H163 H 0.486320 0.424127 0.266584 0.033 Uiso 1 1 calc R U . . .
C139 C 0.5142(3) 0.5191(3) 0.24559(12) 0.0307(12) Uani 1 1 d . . . . .
H164 H 0.471290 0.539837 0.240313 0.037 Uiso 1 1 calc R U . . .
C140 C 0.5670(3) 0.5573(3) 0.23772(12) 0.0306(12) Uani 1 1 d . . . . .
H165 H 0.560542 0.604582 0.227214 0.037 Uiso 1 1 calc R U . . .
C141 C 0.6290(3) 0.5277(3) 0.24493(11) 0.0273(11) Uani 1 1 d . . . . .
H166 H 0.665279 0.554457 0.239267 0.033 Uiso 1 1 calc R U . . .
C142 C 0.6393(2) 0.4589(3) 0.26046(11) 0.0246(11) Uani 1 1 d . . . . .
H167 H 0.682276 0.438343 0.265298 0.030 Uiso 1 1 calc R U . . .
P5A P 0.3201(4) 0.2761(4) 0.27147(17) 0.0247(15) Uani 0.653(15) 1 d D U P A 1
F1A F 0.3528(4) 0.2074(4) 0.2919(2) 0.061(2) Uani 0.653(15) 1 d D U P A 1
F2A F 0.2854(3) 0.3437(5) 0.2500(3) 0.064(3) Uani 0.653(15) 1 d D U P A 1
F3A F 0.3895(5) 0.3164(8) 0.2753(4) 0.058(3) Uani 0.653(15) 1 d D U P A 1
F4A F 0.2489(4) 0.2368(5) 0.2673(3) 0.031(2) Uani 0.653(15) 1 d D U P A 1
F5A F 0.3071(5) 0.3113(6) 0.3054(2) 0.063(3) Uani 0.653(15) 1 d D U P A 1
F6A F 0.3325(3) 0.2392(6) 0.23778(14) 0.054(3) Uani 0.653(15) 1 d D U P A 1
P5B P 0.3237(7) 0.2901(7) 0.2713(3) 0.019(2) Uani 0.347(15) 1 d D U P A 2
F1B F 0.3502(7) 0.2098(6) 0.2700(7) 0.094(7) Uani 0.347(15) 1 d D U P A 2
F2B F 0.2954(5) 0.3714(5) 0.2721(5) 0.051(4) Uani 0.347(15) 1 d D U P A 2
F3B F 0.3970(8) 0.3217(12) 0.2811(6) 0.038(4) Uani 0.347(15) 1 d D U P A 2
F4B F 0.2489(7) 0.2601(10) 0.2623(5) 0.032(4) Uani 0.347(15) 1 d D U P A 2
F5B F 0.3198(12) 0.2824(13) 0.3094(3) 0.072(6) Uani 0.347(15) 1 d D U P A 2
F6B F 0.3269(5) 0.3014(12) 0.2333(2) 0.060(6) Uani 0.347(15) 1 d D U P A 2
P6A P 0.1762(5) 0.7693(7) 0.2232(3) 0.0255(19) Uani 0.58(3) 1 d D U P B 1
F7A F 0.2124(6) 0.6963(11) 0.2384(6) 0.086(5) Uani 0.58(3) 1 d D U P B 1
F8A F 0.1432(8) 0.8421(7) 0.2073(4) 0.067(3) Uani 0.58(3) 1 d D U P B 1
F9A F 0.2461(6) 0.8108(10) 0.2318(5) 0.045(3) Uani 0.58(3) 1 d D U P B 1
F10A F 0.1081(7) 0.7279(11) 0.2149(6) 0.082(5) Uani 0.58(3) 1 d D U P B 1
F11A F 0.1934(9) 0.7470(9) 0.1877(4) 0.060(4) Uani 0.58(3) 1 d D U P B 1
F12A F 0.1600(5) 0.7921(16) 0.2585(2) 0.079(5) Uani 0.58(3) 1 d D U P B 1
P6B P 0.1745(7) 0.7545(8) 0.2202(3) 0.028(3) Uani 0.42(3) 1 d D U P B 2
F7B F 0.2067(7) 0.6736(7) 0.2225(5) 0.050(4) Uani 0.42(3) 1 d D U P B 2
F8B F 0.1455(8) 0.8349(8) 0.2177(7) 0.069(5) Uani 0.42(3) 1 d D U P B 2
F9B F 0.2470(8) 0.7883(11) 0.2325(6) 0.033(3) Uani 0.42(3) 1 d D U P B 2
F10B F 0.1040(7) 0.7201(11) 0.2082(5) 0.041(3) Uani 0.42(3) 1 d D U P B 2
F11B F 0.1860(10) 0.7580(10) 0.1823(3) 0.037(4) Uani 0.42(3) 1 d D U P B 2
F12B F 0.1661(8) 0.7457(15) 0.2579(3) 0.059(5) Uani 0.42(3) 1 d D U P B 2
O1 O 0.3313(3) 0.4822(3) 0.37278(14) 0.0877(16) Uiso 1 1 d . . . . .
C143 C 0.2977(4) 0.4705(5) 0.4006(2) 0.094(3) Uiso 1 1 d . . . . .
H168 H 0.270792 0.424794 0.396854 0.112 Uiso 1 1 calc R U . . .
H169 H 0.330023 0.464303 0.421723 0.112 Uiso 1 1 calc R U . . .
C144 C 0.2564(4) 0.5323(4) 0.40371(19) 0.076(2) Uiso 1 1 d . . . . .
H170 H 0.283360 0.577195 0.407970 0.115 Uiso 1 1 calc R U . . .
H171 H 0.232867 0.524026 0.422564 0.115 Uiso 1 1 calc R U . . .
H172 H 0.224607 0.538318 0.382726 0.115 Uiso 1 1 calc R U . . .
C145 C 0.3798(5) 0.4244(6) 0.3696(2) 0.109(3) Uiso 1 1 d . . . . .
H173 H 0.411804 0.420796 0.390943 0.131 Uiso 1 1 calc R U . . .
H174 H 0.357220 0.376016 0.365452 0.131 Uiso 1 1 calc R U . . .
C146 C 0.4142(4) 0.4407(4) 0.34222(18) 0.074(2) Uiso 1 1 d . . . . .
H175 H 0.383529 0.437556 0.320700 0.110 Uiso 1 1 calc R U . . .
H176 H 0.449844 0.404731 0.342284 0.110 Uiso 1 1 calc R U . . .
H177 H 0.432670 0.490814 0.345043 0.110 Uiso 1 1 calc R U . . .
O2 O 0.1736(6) 0.5549(7) 0.0978(3) 0.220(5) Uiso 1 1 d . . . . .
C147 C 0.1618(9) 0.5869(11) 0.1272(5) 0.239(8) Uiso 1 1 d . . . . .
H178 H 0.180961 0.637204 0.127163 0.287 Uiso 1 1 calc R U . . .
H179 H 0.190487 0.559446 0.145406 0.287 Uiso 1 1 calc R U . . .
C148 C 0.1002(5) 0.5973(6) 0.1397(3) 0.132(4) Uiso 1 1 d . . . . .
H180 H 0.063251 0.595743 0.120716 0.199 Uiso 1 1 calc R U . . .
H181 H 0.100778 0.645481 0.151062 0.199 Uiso 1 1 calc R U . . .
H182 H 0.095044 0.557737 0.155772 0.199 Uiso 1 1 calc R U . . .
C149 C 0.2368(9) 0.5292(10) 0.0895(5) 0.231(8) Uiso 1 1 d . . . . .
H183 H 0.271682 0.567338 0.094332 0.277 Uiso 1 1 calc R U . . .
H184 H 0.251934 0.482434 0.101242 0.277 Uiso 1 1 calc R U . . .
C150 C 0.2155(8) 0.5190(9) 0.0550(4) 0.223(7) Uiso 1 1 d . . . . .
H185 H 0.176596 0.549702 0.047434 0.334 Uiso 1 1 calc R U . . .
H186 H 0.204352 0.466660 0.050557 0.334 Uiso 1 1 calc R U . . .
H187 H 0.250701 0.533293 0.042752 0.334 Uiso 1 1 calc R U . . .
O3 O -0.0087(6) 0.4923(7) 0.0010(4) 0.062(3) Uiso 0.5 1 d D . P C -1
C151 C 0.0125(10) 0.5509(9) 0.0243(5) 0.124(7) Uiso 0.5 1 d D . P C -1
H188 H 0.058149 0.565349 0.022758 0.149 Uiso 0.5 1 calc R U P C -1
H189 H 0.011552 0.534135 0.047664 0.149 Uiso 0.5 1 calc R U P C -1
C152 C -0.0346(10) 0.6183(9) 0.0154(5) 0.102(6) Uiso 0.5 1 d D . P C -1
H190 H -0.028227 0.639442 -0.006308 0.153 Uiso 0.5 1 calc R U P C -1
H191 H -0.024755 0.656019 0.033103 0.153 Uiso 0.5 1 calc R U P C -1
H192 H -0.080284 0.601880 0.013725 0.153 Uiso 0.5 1 calc R U P C -1
C153 C 0.0374(10) 0.4356(10) 0.0019(6) 0.136(8) Uiso 0.5 1 d D . P C -1
H193 H 0.045158 0.409124 0.023818 0.164 Uiso 0.5 1 calc R U P C -1
H194 H 0.079682 0.453417 -0.003558 0.164 Uiso 0.5 1 calc R U P C -1
C154 C -0.0037(15) 0.3854(13) -0.0284(7) 0.175(12) Uiso 0.5 1 d D . P C -1
H195 H 0.004153 0.332716 -0.023206 0.263 Uiso 0.5 1 calc R U P C -1
H196 H 0.010820 0.397240 -0.049755 0.263 Uiso 0.5 1 calc R U P C -1
H197 H -0.050819 0.396058 -0.030472 0.263 Uiso 0.5 1 calc R U P C -1
O4 O 0.5020(11) 0.0209(9) -0.0018(5) 0.141(6) Uiso 0.5 1 d D . P D -1
C155 C 0.5259(17) 0.0072(15) 0.0340(5) 0.201(14) Uiso 0.5 1 d D . P D -1
H198 H 0.554012 -0.037605 0.037194 0.241 Uiso 0.5 1 calc R U P D -1
H199 H 0.488779 0.000680 0.046360 0.241 Uiso 0.5 1 calc R U P D -1
C156 C 0.5667(11) 0.0785(12) 0.0464(5) 0.133(8) Uiso 0.5 1 d D . P D -1
H200 H 0.611864 0.072701 0.042267 0.199 Uiso 0.5 1 calc R U P D -1
H201 H 0.567273 0.085425 0.070619 0.199 Uiso 0.5 1 calc R U P D -1
H202 H 0.546411 0.121766 0.033970 0.199 Uiso 0.5 1 calc R U P D -1
C157 C 0.4766(9) -0.0534(8) -0.0127(4) 0.085(5) Uiso 0.5 1 d D . P D -1
H203 H 0.435531 -0.066060 -0.004336 0.103 Uiso 0.5 1 calc R U P D -1
H204 H 0.509733 -0.093063 -0.006780 0.103 Uiso 0.5 1 calc R U P D -1
C158 C 0.4642(19) -0.0323(19) -0.0523(5) 0.222(16) Uiso 0.5 1 d D . P D -1
H205 H 0.469087 0.021378 -0.054784 0.333 Uiso 0.5 1 calc R U P D -1
H206 H 0.419626 -0.047245 -0.062720 0.333 Uiso 0.5 1 calc R U P D -1
H207 H 0.496365 -0.058171 -0.063370 0.333 Uiso 0.5 1 calc R U P D -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
N1 Cu1 C64 109.08(16) . . ?
N1 Cu1 C65 144.39(16) . . ?
C64 Cu1 C65 35.31(16) . . ?
N1 Cu1 P2 85.88(10) . . ?
C64 Cu1 P2 157.78(13) . . ?
C65 Cu1 P2 127.65(13) . . ?
C64 P1 C8 114.57(19) . . ?
C64 P1 C1 100.8(2) . . ?
C8 P1 C1 96.84(19) . . ?
C2 P2 C36 107.2(2) . . ?
C2 P2 Cu1 98.86(16) . . ?
C36 P2 Cu1 152.74(14) . . ?
C3 N1 C7 118.9(4) . . ?
C3 N1 Cu1 122.4(3) . . ?
C7 N1 Cu1 118.7(3) . . ?
C3 C1 P1 113.7(3) . . ?
C3 C1 H1 108.8 . . ?
P1 C1 H1 108.8 . . ?
C3 C1 H1A 108.8 . . ?
P1 C1 H1A 108.8 . . ?
H1 C1 H1A 107.7 . . ?
C7 C2 P2 119.7(3) . . ?
C7 C2 H2 120.1 . . ?
P2 C2 H2 120.1 . . ?
N1 C3 C4 121.0(4) . . ?
N1 C3 C1 117.9(4) . . ?
C4 C3 C1 121.1(4) . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 119.0(4) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 H5 120.5 . . ?
C7 C6 C5 119.3(4) . . ?
C7 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
N1 C7 C6 121.4(4) . . ?
N1 C7 C2 116.8(4) . . ?
C6 C7 C2 121.7(4) . . ?
C13 C8 C9 117.6(4) . . ?
C13 C8 P1 111.9(3) . . ?
C9 C8 P1 129.5(3) . . ?
C10 C9 C8 120.0(4) . . ?
C10 C9 C14 109.4(4) . . ?
C8 C9 C14 130.0(4) . . ?
C11 C10 C9 120.9(4) . . ?
C11 C10 C16 125.9(4) . . ?
C9 C10 C16 113.2(4) . . ?
C12 C11 C10 119.5(4) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C11 C12 C13 121.0(4) . . ?
C11 C12 C17 124.4(4) . . ?
C13 C12 C17 114.5(4) . . ?
C12 C13 C8 120.5(4) . . ?
C12 C13 C19 109.5(4) . . ?
C8 C13 C19 130.0(4) . . ?
C22 C14 C20 110.7(4) . . ?
C22 C14 C9 114.8(4) . . ?
C20 C14 C9 108.9(4) . . ?
C22 C14 C15 109.6(4) . . ?
C20 C14 C15 109.5(4) . . ?
C9 C14 C15 103.0(3) . . ?
C16 C15 C14 109.7(4) . . ?
C16 C15 H15 109.7 . . ?
C14 C15 H15 109.7 . . ?
C16 C15 H15A 109.7 . . ?
C14 C15 H15A 109.7 . . ?
H15 C15 H15A 108.2 . . ?
C10 C16 C15 101.4(4) . . ?
C10 C16 C24 111.4(4) . . ?
C15 C16 C24 112.1(4) . . ?
C10 C16 C26 110.2(4) . . ?
C15 C16 C26 109.3(4) . . ?
C24 C16 C26 111.9(4) . . ?
C12 C17 C28 112.4(4) . . ?
C12 C17 C30 108.4(4) . . ?
C28 C17 C30 109.3(4) . . ?
C12 C17 C18 101.2(3) . . ?
C28 C17 C18 113.2(4) . . ?
C30 C17 C18 112.0(4) . . ?
C17 C18 C19 109.8(4) . . ?
C17 C18 H18 109.7 . . ?
C19 C18 H18 109.7 . . ?
C17 C18 H18A 109.7 . . ?
C19 C18 H18A 109.7 . . ?
H18 C18 H18A 108.2 . . ?
C32 C19 C34 110.9(4) . . ?
C32 C19 C18 108.8(4) . . ?
C34 C19 C18 110.4(4) . . ?
C32 C19 C13 114.0(4) . . ?
C34 C19 C13 110.9(4) . . ?
C18 C19 C13 101.5(3) . . ?
C21 C20 C14 116.2(4) . . ?
C21 C20 H20 108.2 . . ?
C14 C20 H20 108.2 . . ?
C21 C20 H20A 108.2 . . ?
C14 C20 H20A 108.2 . . ?
H20 C20 H20A 107.4 . . ?
C20 C21 H21 109.5 . . ?
C20 C21 H21A 109.5 . . ?
H21 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C23 C22 C14 115.4(4) . . ?
C23 C22 H22 108.4 . . ?
C14 C22 H22 108.4 . . ?
C23 C22 H22A 108.4 . . ?
C14 C22 H22A 108.4 . . ?
H22 C22 H22A 107.5 . . ?
C22 C23 H23 109.5 . . ?
C22 C23 H23A 109.5 . . ?
H23 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C16 C24 C25 114.5(4) . . ?
C16 C24 H24 108.6 . . ?
C25 C24 H24 108.6 . . ?
C16 C24 H24A 108.6 . . ?
C25 C24 H24A 108.6 . . ?
H24 C24 H24A 107.6 . . ?
C24 C25 H25 109.5 . . ?
C24 C25 H25A 109.5 . . ?
H25 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C27 C26 C16 117.3(5) . . ?
C27 C26 H26 108.0 . . ?
C16 C26 H26 108.0 . . ?
C27 C26 H26A 108.0 . . ?
C16 C26 H26A 108.0 . . ?
H26 C26 H26A 107.2 . . ?
C26 C27 H27 109.5 . . ?
C26 C27 H27A 109.5 . . ?
H27 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C29 C28 C17 116.5(4) . . ?
C29 C28 H28 108.2 . . ?
C17 C28 H28 108.2 . . ?
C29 C28 H28A 108.2 . . ?
C17 C28 H28A 108.2 . . ?
H28 C28 H28A 107.3 . . ?
C28 C29 H29 109.5 . . ?
C28 C29 H29A 109.5 . . ?
H29 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C31 C30 C17 116.2(4) . . ?
C31 C30 H30 108.2 . . ?
C17 C30 H30 108.2 . . ?
C31 C30 H30A 108.2 . . ?
C17 C30 H30A 108.2 . . ?
H30 C30 H30A 107.4 . . ?
C30 C31 H31 109.5 . . ?
C30 C31 H31A 109.5 . . ?
H31 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C33 C32 C19 116.0(4) . . ?
C33 C32 H32 108.3 . . ?
C19 C32 H32 108.3 . . ?
C33 C32 H32A 108.3 . . ?
C19 C32 H32A 108.3 . . ?
H32 C32 H32A 107.4 . . ?
C32 C33 H33 109.5 . . ?
C32 C33 H33A 109.5 . . ?
H33 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C35 C34 C19 116.0(4) . . ?
C35 C34 H34 108.3 . . ?
C19 C34 H34 108.3 . . ?
C35 C34 H34A 108.3 . . ?
C19 C34 H34A 108.3 . . ?
H34 C34 H34A 107.4 . . ?
C34 C35 H35 109.5 . . ?
C34 C35 H35A 109.5 . . ?
H35 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C41 C36 C37 118.6(4) . . ?
C41 C36 P2 120.8(3) . . ?
C37 C36 P2 120.6(3) . . ?
C38 C37 C36 120.4(4) . . ?
C38 C37 C42 110.5(4) . . ?
C36 C37 C42 128.8(4) . . ?
C39 C38 C37 121.0(4) . . ?
C39 C38 C44 125.9(4) . . ?
C37 C38 C44 113.1(4) . . ?
C38 C39 C40 119.2(4) . . ?
C38 C39 H39 120.4 . . ?
C40 C39 H39 120.4 . . ?
C39 C40 C41 121.0(4) . . ?
C39 C40 C45 126.6(4) . . ?
C41 C40 C45 112.4(4) . . ?
C40 C41 C36 119.8(4) . . ?
C40 C41 C47 110.5(4) . . ?
C36 C41 C47 129.7(4) . . ?
C37 C42 C48 107.5(3) . . ?
C37 C42 C50 114.6(4) . . ?
C48 C42 C50 109.4(4) . . ?
C37 C42 C43 102.9(3) . . ?
C48 C42 C43 111.5(4) . . ?
C50 C42 C43 110.8(3) . . ?
C42 C43 C44 109.0(3) . . ?
C42 C43 H43 109.9 . . ?
C44 C43 H43 109.9 . . ?
C42 C43 H43A 109.9 . . ?
C44 C43 H43A 109.9 . . ?
H43 C43 H43A 108.3 . . ?
C38 C44 C52 109.0(3) . . ?
C38 C44 C54 110.7(4) . . ?
C52 C44 C54 109.6(3) . . ?
C38 C44 C43 102.1(3) . . ?
C52 C44 C43 112.2(4) . . ?
C54 C44 C43 113.0(4) . . ?
C40 C45 C46 101.4(3) . . ?
C40 C45 C56 112.5(4) . . ?
C46 C45 C56 112.4(4) . . ?
C40 C45 C58 107.5(4) . . ?
C46 C45 C58 113.6(4) . . ?
C56 C45 C58 109.2(4) . . ?
C45 C46 C47 109.2(4) . . ?
C45 C46 H46 109.8 . . ?
C47 C46 H46 109.8 . . ?
C45 C46 H46A 109.8 . . ?
C47 C46 H46A 109.8 . . ?
H46 C46 H46A 108.3 . . ?
C60 C47 C41 114.0(4) . . ?
C60 C47 C62 109.2(4) . . ?
C41 C47 C62 110.7(4) . . ?
C60 C47 C46 110.8(4) . . ?
C41 C47 C46 101.3(3) . . ?
C62 C47 C46 110.7(4) . . ?
C49 C48 C42 116.6(4) . . ?
C49 C48 H48 108.1 . . ?
C42 C48 H48 108.1 . . ?
C49 C48 H48A 108.1 . . ?
C42 C48 H48A 108.1 . . ?
H48 C48 H48A 107.3 . . ?
C48 C49 H49 109.5 . . ?
C48 C49 H49A 109.5 . . ?
H49 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C51 C50 C42 116.0(4) . . ?
C51 C50 H50 108.3 . . ?
C42 C50 H50 108.3 . . ?
C51 C50 H50A 108.3 . . ?
C42 C50 H50A 108.3 . . ?
H50 C50 H50A 107.4 . . ?
C50 C51 H51 109.5 . . ?
C50 C51 H51A 109.5 . . ?
H51 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C53 C52 C44 115.9(4) . . ?
C53 C52 H52 108.3 . . ?
C44 C52 H52 108.3 . . ?
C53 C52 H52A 108.3 . . ?
C44 C52 H52A 108.3 . . ?
H52 C52 H52A 107.4 . . ?
C52 C53 H53 109.5 . . ?
C52 C53 H53A 109.5 . . ?
H53 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C55 C54 C44 115.8(4) . . ?
C55 C54 H54 108.3 . . ?
C44 C54 H54 108.3 . . ?
C55 C54 H54A 108.3 . . ?
C44 C54 H54A 108.3 . . ?
H54 C54 H54A 107.4 . . ?
C54 C55 H55 109.5 . . ?
C54 C55 H55A 109.5 . . ?
H55 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C57 C56 C45 116.6(4) . . ?
C57 C56 H56 108.1 . . ?
C45 C56 H56 108.1 . . ?
C57 C56 H56A 108.1 . . ?
C45 C56 H56A 108.1 . . ?
H56 C56 H56A 107.3 . . ?
C56 C57 H57 109.5 . . ?
C56 C57 H57A 109.5 . . ?
H57 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C59 C58 C45 115.5(4) . . ?
C59 C58 H58 108.4 . . ?
C45 C58 H58 108.4 . . ?
C59 C58 H58A 108.4 . . ?
C45 C58 H58A 108.4 . . ?
H58 C58 H58A 107.5 . . ?
C58 C59 H59 109.5 . . ?
C58 C59 H59A 109.5 . . ?
H59 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C61 C60 C47 116.8(4) . . ?
C61 C60 H60 108.1 . . ?
C47 C60 H60 108.1 . . ?
C61 C60 H60A 108.1 . . ?
C47 C60 H60A 108.1 . . ?
H60 C60 H60A 107.3 . . ?
C60 C61 H61 109.5 . . ?
C60 C61 H61A 109.5 . . ?
H61 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C63 C62 C47 114.7(4) . . ?
C63 C62 H62 108.6 . . ?
C47 C62 H62 108.6 . . ?
C63 C62 H62A 108.6 . . ?
C47 C62 H62A 108.6 . . ?
H62 C62 H62A 107.6 . . ?
C62 C63 H63 109.5 . . ?
C62 C63 H63A 109.5 . . ?
H63 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C65 C64 P1 167.1(4) . . ?
C65 C64 Cu1 73.6(3) . . ?
P1 C64 Cu1 106.7(2) . . ?
C64 C65 C66 166.1(4) . . ?
C64 C65 Cu1 71.1(3) . . ?
C66 C65 Cu1 122.5(3) . . ?
C71 C66 C67 120.1(4) . . ?
C71 C66 C65 120.0(4) . . ?
C67 C66 C65 119.9(4) . . ?
C68 C67 C66 119.8(4) . . ?
C68 C67 H67 120.1 . . ?
C66 C67 H67 120.1 . . ?
C67 C68 C69 120.2(5) . . ?
C67 C68 H68 119.9 . . ?
C69 C68 H68 119.9 . . ?
C70 C69 C68 120.2(4) . . ?
C70 C69 H69 119.9 . . ?
C68 C69 H69 119.9 . . ?
C69 C70 C71 120.4(5) . . ?
C69 C70 H70 119.8 . . ?
C71 C70 H70 119.8 . . ?
C70 C71 C66 119.3(5) . . ?
C70 C71 H71 120.4 . . ?
C66 C71 H71 120.4 . . ?
N2 Cu2 C135 108.86(16) . . ?
N2 Cu2 C136 144.03(16) . . ?
C135 Cu2 C136 35.17(17) . . ?
N2 Cu2 P4 86.39(10) . . ?
C135 Cu2 P4 157.57(13) . . ?
C136 Cu2 P4 127.58(13) . . ?
C135 P3 C79 114.8(2) . . ?
C135 P3 C72 100.7(2) . . ?
C79 P3 C72 98.58(19) . . ?
C73 P4 C107 108.1(2) . . ?
C73 P4 Cu2 98.43(16) . . ?
C107 P4 Cu2 152.41(15) . . ?
C74 N2 C78 120.1(4) . . ?
C74 N2 Cu2 122.6(3) . . ?
C78 N2 Cu2 117.2(3) . . ?
C74 C72 P3 112.7(3) . . ?
C74 C72 H72 109.0 . . ?
P3 C72 H72 109.0 . . ?
C74 C72 H72A 109.0 . . ?
P3 C72 H72A 109.0 . . ?
H72 C72 H72A 107.8 . . ?
C78 C73 P4 120.2(3) . . ?
C78 C73 H73 119.9 . . ?
P4 C73 H73 119.9 . . ?
N2 C74 C75 121.5(4) . . ?
N2 C74 C72 118.3(4) . . ?
C75 C74 C72 120.3(4) . . ?
C76 C75 C74 119.5(4) . . ?
C76 C75 H75 120.3 . . ?
C74 C75 H75 120.3 . . ?
C75 C76 C77 119.1(4) . . ?
C75 C76 H76 120.4 . . ?
C77 C76 H76 120.4 . . ?
C78 C77 C76 119.3(4) . . ?
C78 C77 H77 120.4 . . ?
C76 C77 H77 120.4 . . ?
N2 C78 C77 120.5(4) . . ?
N2 C78 C73 117.7(4) . . ?
C77 C78 C73 121.8(4) . . ?
C80 C79 C84 118.4(4) . . ?
C80 C79 P3 110.7(3) . . ?
C84 C79 P3 130.2(3) . . ?
C81 C80 C79 119.6(4) . . ?
C81 C80 C85 109.5(4) . . ?
C79 C80 C85 130.9(4) . . ?
C82 C81 C80 121.4(4) . . ?
C82 C81 C87 124.9(4) . . ?
C80 C81 C87 113.6(4) . . ?
C83 C82 C81 119.1(4) . . ?
C83 C82 H82 120.5 . . ?
C81 C82 H82 120.5 . . ?
C82 C83 C84 121.9(4) . . ?
C82 C83 C88 124.1(4) . . ?
C84 C83 C88 114.0(4) . . ?
C83 C84 C79 119.3(4) . . ?
C83 C84 C90 110.3(4) . . ?
C79 C84 C90 130.0(4) . . ?
C91 C85 C93 109.8(4) . . ?
C91 C85 C80 114.3(4) . . ?
C93 C85 C80 111.2(4) . . ?
C91 C85 C86 108.7(4) . . ?
C93 C85 C86 110.7(4) . . ?
C80 C85 C86 101.9(3) . . ?
C87 C86 C85 109.9(4) . . ?
C87 C86 H86 109.7 . . ?
C85 C86 H86 109.7 . . ?
C87 C86 H86A 109.7 . . ?
C85 C86 H86A 109.7 . . ?
H86 C86 H86A 108.2 . . ?
C81 C87 C86 101.3(3) . . ?
C81 C87 C95 112.9(4) . . ?
C86 C87 C95 112.6(4) . . ?
C81 C87 C97 108.1(4) . . ?
C86 C87 C97 112.9(4) . . ?
C95 C87 C97 108.8(4) . . ?
C83 C88 C101 111.3(4) . . ?
C83 C88 C89 102.0(4) . . ?
C101 C88 C89 113.5(4) . . ?
C83 C88 C99 108.9(4) . . ?
C101 C88 C99 109.5(4) . . ?
C89 C88 C99 111.4(4) . . ?
C88 C89 C90 110.5(4) . . ?
C88 C89 H89 109.5 . . ?
C90 C89 H89 109.5 . . ?
C88 C89 H89A 109.5 . . ?
C90 C89 H89A 109.5 . . ?
H89 C89 H89A 108.1 . . ?
C105 C90 C84 113.9(4) . . ?
C105 C90 C103 110.5(4) . . ?
C84 C90 C103 109.7(4) . . ?
C105 C90 C89 109.6(4) . . ?
C84 C90 C89 102.8(4) . . ?
C103 C90 C89 110.1(4) . . ?
C92 C91 C85 114.9(4) . . ?
C92 C91 H91 108.6 . . ?
C85 C91 H91 108.6 . . ?
C92 C91 H91A 108.6 . . ?
C85 C91 H91A 108.6 . . ?
H91 C91 H91A 107.5 . . ?
C91 C92 H92 109.5 . . ?
C91 C92 H92A 109.5 . . ?
H92 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C94 C93 C85 115.8(4) . . ?
C94 C93 H93 108.3 . . ?
C85 C93 H93 108.3 . . ?
C94 C93 H93A 108.3 . . ?
C85 C93 H93A 108.3 . . ?
H93 C93 H93A 107.4 . . ?
C93 C94 H94 109.5 . . ?
C93 C94 H94A 109.5 . . ?
H94 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
H94 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C96 C95 C87 117.2(4) . . ?
C96 C95 H95 108.0 . . ?
C87 C95 H95 108.0 . . ?
C96 C95 H95A 108.0 . . ?
C87 C95 H95A 108.0 . . ?
H95 C95 H95A 107.2 . . ?
C95 C96 H96 109.5 . . ?
C95 C96 H96A 109.5 . . ?
H96 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C98 C97 C87 116.2(4) . . ?
C98 C97 H97 108.2 . . ?
C87 C97 H97 108.2 . . ?
C98 C97 H97A 108.2 . . ?
C87 C97 H97A 108.2 . . ?
H97 C97 H97A 107.4 . . ?
C97 C98 H98 109.5 . . ?
C97 C98 H98A 109.5 . . ?
H98 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C100 C99 C88 115.5(4) . . ?
C100 C99 H99 108.4 . . ?
C88 C99 H99 108.4 . . ?
C100 C99 H99A 108.4 . . ?
C88 C99 H99A 108.4 . . ?
H99 C99 H99A 107.5 . . ?
C99 C100 H100 109.5 . . ?
C99 C100 H101 109.5 . . ?
H100 C100 H101 109.5 . . ?
C99 C100 H102 109.5 . . ?
H100 C100 H102 109.5 . . ?
H101 C100 H102 109.5 . . ?
C102 C101 C88 115.9(5) . . ?
C102 C101 H103 108.3 . . ?
C88 C101 H103 108.3 . . ?
C102 C101 H104 108.3 . . ?
C88 C101 H104 108.3 . . ?
H103 C101 H104 107.4 . . ?
C101 C102 H105 109.5 . . ?
C101 C102 H106 109.5 . . ?
H105 C102 H106 109.5 . . ?
C101 C102 H107 109.5 . . ?
H105 C102 H107 109.5 . . ?
H106 C102 H107 109.5 . . ?
C104 C103 C90 116.9(4) . . ?
C104 C103 H108 108.1 . . ?
C90 C103 H108 108.1 . . ?
C104 C103 H109 108.1 . . ?
C90 C103 H109 108.1 . . ?
H108 C103 H109 107.3 . . ?
C103 C104 H110 109.5 . . ?
C103 C104 H111 109.5 . . ?
H110 C104 H111 109.5 . . ?
C103 C104 H112 109.5 . . ?
H110 C104 H112 109.5 . . ?
H111 C104 H112 109.5 . . ?
C106 C105 C90 114.6(4) . . ?
C106 C105 H113 108.6 . . ?
C90 C105 H113 108.6 . . ?
C106 C105 H114 108.6 . . ?
C90 C105 H114 108.6 . . ?
H113 C105 H114 107.6 . . ?
C105 C106 H115 109.5 . . ?
C105 C106 H116 109.5 . . ?
H115 C106 H116 109.5 . . ?
C105 C106 H117 109.5 . . ?
H115 C106 H117 109.5 . . ?
H116 C106 H117 109.5 . . ?
C108 C107 C112 119.0(4) . . ?
C108 C107 P4 120.9(3) . . ?
C112 C107 P4 120.1(3) . . ?
C109 C108 C107 119.4(4) . . ?
C109 C108 C113 110.6(4) . . ?
C107 C108 C113 130.0(4) . . ?
C110 C109 C108 121.2(4) . . ?
C110 C109 C115 126.8(4) . . ?
C108 C109 C115 112.0(4) . . ?
C109 C110 C111 119.3(4) . . ?
C109 C110 H118 120.4 . . ?
C111 C110 H118 120.4 . . ?
C110 C111 C112 121.3(4) . . ?
C110 C111 C116 126.1(4) . . ?
C112 C111 C116 112.4(4) . . ?
C111 C112 C107 119.7(4) . . ?
C111 C112 C118 111.1(4) . . ?
C107 C112 C118 129.1(4) . . ?
C108 C113 C119 114.4(4) . . ?
C108 C113 C114 101.2(3) . . ?
C119 C113 C114 110.2(4) . . ?
C108 C113 C121 110.1(4) . . ?
C119 C113 C121 109.5(4) . . ?
C114 C113 C121 111.1(4) . . ?
C115 C114 C113 109.3(4) . . ?
C115 C114 H119 109.8 . . ?
C113 C114 H119 109.8 . . ?
C115 C114 H120 109.8 . . ?
C113 C114 H120 109.8 . . ?
H119 C114 H120 108.3 . . ?
C109 C115 C114 100.9(4) . . ?
C109 C115 C125 108.9(4) . . ?
C114 C115 C125 113.3(4) . . ?
C109 C115 C123 112.8(4) . . ?
C114 C115 C123 112.3(4) . . ?
C125 C115 C123 108.6(4) . . ?
C111 C116 C129 111.9(4) . . ?
C111 C116 C127 108.5(4) . . ?
C129 C116 C127 109.4(4) . . ?
C111 C116 C117 102.7(3) . . ?
C129 C116 C117 112.3(4) . . ?
C127 C116 C117 111.9(4) . . ?
C116 C117 C118 108.9(3) . . ?
C116 C117 H121 109.9 . . ?
C118 C117 H121 109.9 . . ?
C116 C117 H122 109.9 . . ?
C118 C117 H122 109.9 . . ?
H121 C117 H122 108.3 . . ?
C112 C118 C133 114.9(4) . . ?
C112 C118 C131 107.4(3) . . ?
C133 C118 C131 109.2(4) . . ?
C112 C118 C117 102.9(3) . . ?
C133 C118 C117 111.3(4) . . ?
C131 C118 C117 111.1(4) . . ?
C120 C119 C113 117.0(4) . . ?
C120 C119 H123 108.1 . . ?
C113 C119 H123 108.1 . . ?
C120 C119 H124 108.1 . . ?
C113 C119 H124 108.1 . . ?
H123 C119 H124 107.3 . . ?
C119 C120 H125 109.5 . . ?
C119 C120 H126 109.5 . . ?
H125 C120 H126 109.5 . . ?
C119 C120 H127 109.5 . . ?
H125 C120 H127 109.5 . . ?
H126 C120 H127 109.5 . . ?
C122 C121 C113 115.2(4) . . ?
C122 C121 H128 108.5 . . ?
C113 C121 H128 108.5 . . ?
C122 C121 H129 108.5 . . ?
C113 C121 H129 108.5 . . ?
H128 C121 H129 107.5 . . ?
C121 C122 H130 109.5 . . ?
C121 C122 H131 109.5 . . ?
H130 C122 H131 109.5 . . ?
C121 C122 H132 109.5 . . ?
H130 C122 H132 109.5 . . ?
H131 C122 H132 109.5 . . ?
C124 C123 C115 116.6(4) . . ?
C124 C123 H133 108.1 . . ?
C115 C123 H133 108.1 . . ?
C124 C123 H134 108.1 . . ?
C115 C123 H134 108.1 . . ?
H133 C123 H134 107.3 . . ?
C123 C124 H135 109.5 . . ?
C123 C124 H136 109.5 . . ?
H135 C124 H136 109.5 . . ?
C123 C124 H137 109.5 . . ?
H135 C124 H137 109.5 . . ?
H136 C124 H137 109.5 . . ?
C126 C125 C115 116.1(4) . . ?
C126 C125 H138 108.3 . . ?
C115 C125 H138 108.3 . . ?
C126 C125 H139 108.3 . . ?
C115 C125 H139 108.3 . . ?
H138 C125 H139 107.4 . . ?
C125 C126 H140 109.5 . . ?
C125 C126 H141 109.5 . . ?
H140 C126 H141 109.5 . . ?
C125 C126 H142 109.5 . . ?
H140 C126 H142 109.5 . . ?
H141 C126 H142 109.5 . . ?
C128 C127 C116 116.5(4) . . ?
C128 C127 H143 108.2 . . ?
C116 C127 H143 108.2 . . ?
C128 C127 H144 108.2 . . ?
C116 C127 H144 108.2 . . ?
H143 C127 H144 107.3 . . ?
C127 C128 H145 109.5 . . ?
C127 C128 H146 109.5 . . ?
H145 C128 H146 109.5 . . ?
C127 C128 H147 109.5 . . ?
H145 C128 H147 109.5 . . ?
H146 C128 H147 109.5 . . ?
C130 C129 C116 115.2(4) . . ?
C130 C129 H148 108.5 . . ?
C116 C129 H148 108.5 . . ?
C130 C129 H149 108.5 . . ?
C116 C129 H149 108.5 . . ?
H148 C129 H149 107.5 . . ?
C129 C130 H150 109.5 . . ?
C129 C130 H151 109.5 . . ?
H150 C130 H151 109.5 . . ?
C129 C130 H152 109.5 . . ?
H150 C130 H152 109.5 . . ?
H151 C130 H152 109.5 . . ?
C132 C131 C118 115.4(4) . . ?
C132 C131 H153 108.4 . . ?
C118 C131 H153 108.4 . . ?
C132 C131 H154 108.4 . . ?
C118 C131 H154 108.4 . . ?
H153 C131 H154 107.5 . . ?
C131 C132 H155 109.5 . . ?
C131 C132 H156 109.5 . . ?
H155 C132 H156 109.5 . . ?
C131 C132 H157 109.5 . . ?
H155 C132 H157 109.5 . . ?
H156 C132 H157 109.5 . . ?
C134 C133 C118 115.7(4) . . ?
C134 C133 H158 108.3 . . ?
C118 C133 H158 108.3 . . ?
C134 C133 H159 108.3 . . ?
C118 C133 H159 108.3 . . ?
H158 C133 H159 107.4 . . ?
C133 C134 H160 109.5 . . ?
C133 C134 H161 109.5 . . ?
H160 C134 H161 109.5 . . ?
C133 C134 H162 109.5 . . ?
H160 C134 H162 109.5 . . ?
H161 C134 H162 109.5 . . ?
C136 C135 P3 166.7(4) . . ?
C136 C135 Cu2 73.9(3) . . ?
P3 C135 Cu2 106.1(2) . . ?
C135 C136 C137 166.7(4) . . ?
C135 C136 Cu2 71.0(3) . . ?
C137 C136 Cu2 122.0(3) . . ?
C138 C137 C142 119.5(4) . . ?
C138 C137 C136 120.0(4) . . ?
C142 C137 C136 120.4(4) . . ?
C139 C138 C137 119.8(5) . . ?
C139 C138 H163 120.1 . . ?
C137 C138 H163 120.1 . . ?
C140 C139 C138 120.4(5) . . ?
C140 C139 H164 119.8 . . ?
C138 C139 H164 119.8 . . ?
C141 C140 C139 120.4(4) . . ?
C141 C140 H165 119.8 . . ?
C139 C140 H165 119.8 . . ?
C140 C141 C142 120.4(5) . . ?
C140 C141 H166 119.8 . . ?
C142 C141 H166 119.8 . . ?
C141 C142 C137 119.5(4) . . ?
C141 C142 H167 120.2 . . ?
C137 C142 H167 120.2 . . ?
F5A P5A F6A 178.7(7) . . ?
F5A P5A F1A 89.3(5) . . ?
F6A P5A F1A 89.8(5) . . ?
F5A P5A F2A 91.8(6) . . ?
F6A P5A F2A 89.1(5) . . ?
F1A P5A F2A 178.1(7) . . ?
F5A P5A F3A 91.0(7) . . ?
F6A P5A F3A 89.9(6) . . ?
F1A P5A F3A 90.7(7) . . ?
F2A P5A F3A 90.8(7) . . ?
F5A P5A F4A 88.8(6) . . ?
F6A P5A F4A 90.3(5) . . ?
F1A P5A F4A 90.5(6) . . ?
F2A P5A F4A 88.0(4) . . ?
F3A P5A F4A 178.8(8) . . ?
F5B P5B F1B 91.6(11) . . ?
F5B P5B F6B 177.6(12) . . ?
F1B P5B F6B 90.8(10) . . ?
F5B P5B F2B 88.8(9) . . ?
F1B P5B F2B 178.8(13) . . ?
F6B P5B F2B 88.8(9) . . ?
F5B P5B F3B 90.0(11) . . ?
F1B P5B F3B 91.0(11) . . ?
F6B P5B F3B 89.7(10) . . ?
F2B P5B F3B 90.1(11) . . ?
F5B P5B F4B 88.8(11) . . ?
F1B P5B F4B 90.5(10) . . ?
F6B P5B F4B 91.5(10) . . ?
F2B P5B F4B 88.4(9) . . ?
F3B P5B F4B 178.1(14) . . ?
F8A P6A F12A 90.3(7) . . ?
F8A P6A F10A 90.2(8) . . ?
F12A P6A F10A 89.6(7) . . ?
F8A P6A F11A 89.7(7) . . ?
F12A P6A F11A 179.3(9) . . ?
F10A P6A F11A 91.1(8) . . ?
F8A P6A F7A 177.3(8) . . ?
F12A P6A F7A 91.6(6) . . ?
F10A P6A F7A 91.8(8) . . ?
F11A P6A F7A 88.3(7) . . ?
F8A P6A F9A 90.4(8) . . ?
F12A P6A F9A 90.6(8) . . ?
F10A P6A F9A 179.4(10) . . ?
F11A P6A F9A 88.7(7) . . ?
F7A P6A F9A 87.6(6) . . ?
F12B P6B F8B 92.8(9) . . ?
F12B P6B F10B 90.2(9) . . ?
F8B P6B F10B 91.2(9) . . ?
F12B P6B F11B 175.8(11) . . ?
F8B P6B F11B 91.3(10) . . ?
F10B P6B F11B 90.3(10) . . ?
F12B P6B F7B 88.2(8) . . ?
F8B P6B F7B 177.9(11) . . ?
F10B P6B F7B 90.6(9) . . ?
F11B P6B F7B 87.7(8) . . ?
F12B P6B F9B 89.8(10) . . ?
F8B P6B F9B 89.7(9) . . ?
F10B P6B F9B 179.1(11) . . ?
F11B P6B F9B 89.6(10) . . ?
F7B P6B F9B 88.5(8) . . ?
C143 O1 C145 113.3(6) . . ?
C144 C143 O1 109.4(7) . . ?
C144 C143 H168 109.8 . . ?
O1 C143 H168 109.8 . . ?
C144 C143 H169 109.8 . . ?
O1 C143 H169 109.8 . . ?
H168 C143 H169 108.2 . . ?
C143 C144 H170 109.5 . . ?
C143 C144 H171 109.5 . . ?
H170 C144 H171 109.5 . . ?
C143 C144 H172 109.5 . . ?
H170 C144 H172 109.5 . . ?
H171 C144 H172 109.5 . . ?
C146 C145 O1 111.0(8) . . ?
C146 C145 H173 109.4 . . ?
O1 C145 H173 109.4 . . ?
C146 C145 H174 109.4 . . ?
O1 C145 H174 109.4 . . ?
H173 C145 H174 108.0 . . ?
C145 C146 H175 109.5 . . ?
C145 C146 H176 109.5 . . ?
H175 C146 H176 109.5 . . ?
C145 C146 H177 109.5 . . ?
H175 C146 H177 109.5 . . ?
H176 C146 H177 109.5 . . ?
C147 O2 C149 128.5(15) . . ?
O2 C147 C148 130.3(17) . . ?
O2 C147 H178 104.7 . . ?
C148 C147 H178 104.7 . . ?
O2 C147 H179 104.7 . . ?
C148 C147 H179 104.7 . . ?
H178 C147 H179 105.7 . . ?
C147 C148 H180 109.5 . . ?
C147 C148 H181 109.5 . . ?
H180 C148 H181 109.5 . . ?
C147 C148 H182 109.5 . . ?
H180 C148 H182 109.5 . . ?
H181 C148 H182 109.5 . . ?
C150 C149 O2 97.4(15) . . ?
C150 C149 H183 112.3 . . ?
O2 C149 H183 112.3 . . ?
C150 C149 H184 112.3 . . ?
O2 C149 H184 112.3 . . ?
H183 C149 H184 109.9 . . ?
C149 C150 H185 109.5 . . ?
C149 C150 H186 109.5 . . ?
H185 C150 H186 109.5 . . ?
C149 C150 H187 109.5 . . ?
H185 C150 H187 109.5 . . ?
H186 C150 H187 109.5 . . ?
C153 O3 C151 113.4(13) . . ?
O3 C151 C152 108.7(14) . . ?
O3 C151 H188 110.0 . . ?
C152 C151 H188 110.0 . . ?
O3 C151 H189 110.0 . . ?
C152 C151 H189 110.0 . . ?
H188 C151 H189 108.3 . . ?
C151 C152 H190 109.5 . . ?
C151 C152 H191 109.5 . . ?
H190 C152 H191 109.5 . . ?
C151 C152 H192 109.5 . . ?
H190 C152 H192 109.5 . . ?
H191 C152 H192 109.5 . . ?
O3 C153 C154 97.2(14) . . ?
O3 C153 H193 112.3 . . ?
C154 C153 H193 112.3 . . ?
O3 C153 H194 112.3 . . ?
C154 C153 H194 112.3 . . ?
H193 C153 H194 109.9 . . ?
C153 C154 H195 109.5 . . ?
C153 C154 H196 109.5 . . ?
H195 C154 H196 109.5 . . ?
C153 C154 H197 109.5 . . ?
H195 C154 H197 109.5 . . ?
H196 C154 H197 109.5 . . ?
C155 O4 C157 100.3(12) . . ?
O4 C155 C156 104.2(17) . . ?
O4 C155 H198 110.9 . . ?
C156 C155 H198 110.9 . . ?
O4 C155 H199 110.9 . . ?
C156 C155 H199 110.9 . . ?
H198 C155 H199 108.9 . . ?
C155 C156 H200 109.5 . . ?
C155 C156 H201 109.5 . . ?
H200 C156 H201 109.5 . . ?
C155 C156 H202 109.5 . . ?
H200 C156 H202 109.5 . . ?
H201 C156 H202 109.5 . . ?
O4 C157 C158 93.7(14) . . ?
O4 C157 H203 113.0 . . ?
C158 C157 H203 113.0 . . ?
O4 C157 H204 113.0 . . ?
C158 C157 H204 113.0 . . ?
H203 C157 H204 110.4 . . ?
C157 C158 H205 109.5 . . ?
C157 C158 H206 109.5 . . ?
H205 C158 H206 109.5 . . ?
C157 C158 H207 109.5 . . ?
H205 C158 H207 109.5 . . ?
H206 C158 H207 109.5 . . ?
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 N1 2.007(3) . ?
Cu1 C64 2.025(4) . ?
Cu1 C65 2.053(4) . ?
Cu1 P2 2.2707(12) . ?
P1 C64 1.788(4) . ?
P1 C8 1.858(4) . ?
P1 C1 1.862(4) . ?
P2 C2 1.670(5) . ?
P2 C36 1.831(4) . ?
N1 C3 1.350(5) . ?
N1 C7 1.360(5) . ?
C1 C3 1.498(6) . ?
C1 H1 0.9900 . ?
C1 H1A 0.9900 . ?
C2 C7 1.469(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(6) . ?
C4 C5 1.365(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.382(6) . ?
C6 H6 0.9500 . ?
C8 C13 1.417(6) . ?
C8 C9 1.423(6) . ?
C9 C10 1.396(6) . ?
C9 C14 1.540(6) . ?
C10 C11 1.388(6) . ?
C10 C16 1.514(6) . ?
C11 C12 1.381(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.390(6) . ?
C12 C17 1.516(6) . ?
C13 C19 1.565(6) . ?
C14 C22 1.533(6) . ?
C14 C20 1.536(7) . ?
C14 C15 1.554(6) . ?
C15 C16 1.536(6) . ?
C15 H15 0.9900 . ?
C15 H15A 0.9900 . ?
C16 C24 1.536(6) . ?
C16 C26 1.545(7) . ?
C17 C28 1.536(6) . ?
C17 C30 1.543(6) . ?
C17 C18 1.545(6) . ?
C18 C19 1.563(6) . ?
C18 H18 0.9900 . ?
C18 H18A 0.9900 . ?
C19 C32 1.541(6) . ?
C19 C34 1.545(6) . ?
C20 C21 1.535(7) . ?
C20 H20 0.9900 . ?
C20 H20A 0.9900 . ?
C21 H21 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C22 C23 1.529(6) . ?
C22 H22 0.9900 . ?
C22 H22A 0.9900 . ?
C23 H23 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C24 C25 1.544(7) . ?
C24 H24 0.9900 . ?
C24 H24A 0.9900 . ?
C25 H25 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C26 C27 1.512(7) . ?
C26 H26 0.9900 . ?
C26 H26A 0.9900 . ?
C27 H27 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C28 C29 1.516(7) . ?
C28 H28 0.9900 . ?
C28 H28A 0.9900 . ?
C29 H29 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C30 C31 1.524(6) . ?
C30 H30 0.9900 . ?
C30 H30A 0.9900 . ?
C31 H31 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C32 C33 1.504(7) . ?
C32 H32 0.9900 . ?
C32 H32A 0.9900 . ?
C33 H33 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C34 C35 1.530(6) . ?
C34 H34 0.9900 . ?
C34 H34A 0.9900 . ?
C35 H35 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C36 C41 1.405(6) . ?
C36 C37 1.409(6) . ?
C37 C38 1.387(6) . ?
C37 C42 1.532(6) . ?
C38 C39 1.384(6) . ?
C38 C44 1.525(6) . ?
C39 C40 1.388(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.400(6) . ?
C40 C45 1.524(6) . ?
C41 C47 1.547(6) . ?
C42 C48 1.546(6) . ?
C42 C50 1.549(6) . ?
C42 C43 1.549(6) . ?
C43 C44 1.552(6) . ?
C43 H43 0.9900 . ?
C43 H43A 0.9900 . ?
C44 C52 1.539(6) . ?
C44 C54 1.544(6) . ?
C45 C46 1.539(6) . ?
C45 C56 1.546(6) . ?
C45 C58 1.548(6) . ?
C46 C47 1.556(6) . ?
C46 H46 0.9900 . ?
C46 H46A 0.9900 . ?
C47 C60 1.538(6) . ?
C47 C62 1.551(6) . ?
C48 C49 1.514(6) . ?
C48 H48 0.9900 . ?
C48 H48A 0.9900 . ?
C49 H49 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C50 C51 1.518(7) . ?
C50 H50 0.9900 . ?
C50 H50A 0.9900 . ?
C51 H51 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C52 C53 1.533(6) . ?
C52 H52 0.9900 . ?
C52 H52A 0.9900 . ?
C53 H53 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C54 C55 1.519(7) . ?
C54 H54 0.9900 . ?
C54 H54A 0.9900 . ?
C55 H55 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C56 C57 1.520(7) . ?
C56 H56 0.9900 . ?
C56 H56A 0.9900 . ?
C57 H57 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C58 C59 1.541(7) . ?
C58 H58 0.9900 . ?
C58 H58A 0.9900 . ?
C59 H59 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C60 C61 1.514(7) . ?
C60 H60 0.9900 . ?
C60 H60A 0.9900 . ?
C61 H61 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C62 C63 1.522(6) . ?
C62 H62 0.9900 . ?
C62 H62A 0.9900 . ?
C63 H63 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C64 C65 1.237(6) . ?
C65 C66 1.456(6) . ?
C66 C71 1.393(6) . ?
C66 C67 1.395(6) . ?
C67 C68 1.380(6) . ?
C67 H67 0.9500 . ?
C68 C69 1.383(7) . ?
C68 H68 0.9500 . ?
C69 C70 1.380(7) . ?
C69 H69 0.9500 . ?
C70 C71 1.388(6) . ?
C70 H70 0.9500 . ?
C71 H71 0.9500 . ?
Cu2 N2 2.011(3) . ?
Cu2 C135 2.024(4) . ?
Cu2 C136 2.057(4) . ?
Cu2 P4 2.2679(12) . ?
P3 C135 1.788(4) . ?
P3 C79 1.863(4) . ?
P3 C72 1.864(5) . ?
P4 C73 1.666(5) . ?
P4 C107 1.829(4) . ?
N2 C74 1.331(5) . ?
N2 C78 1.367(5) . ?
C72 C74 1.498(6) . ?
C72 H72 0.9900 . ?
C72 H72A 0.9900 . ?
C73 C78 1.453(6) . ?
C73 H73 0.9500 . ?
C74 C75 1.393(6) . ?
C75 C76 1.370(7) . ?
C75 H75 0.9500 . ?
C76 C77 1.401(7) . ?
C76 H76 0.9500 . ?
C77 C78 1.384(6) . ?
C77 H77 0.9500 . ?
C79 C80 1.417(6) . ?
C79 C84 1.423(6) . ?
C80 C81 1.397(6) . ?
C80 C85 1.555(6) . ?
C81 C82 1.381(6) . ?
C81 C87 1.521(6) . ?
C82 C83 1.377(6) . ?
C82 H82 0.9500 . ?
C83 C84 1.394(6) . ?
C83 C88 1.521(6) . ?
C84 C90 1.539(6) . ?
C85 C91 1.537(6) . ?
C85 C93 1.555(6) . ?
C85 C86 1.555(6) . ?
C86 C87 1.532(6) . ?
C86 H86 0.9900 . ?
C86 H86A 0.9900 . ?
C87 C95 1.542(6) . ?
C87 C97 1.561(7) . ?
C88 C101 1.529(7) . ?
C88 C89 1.545(6) . ?
C88 C99 1.556(7) . ?
C89 C90 1.561(6) . ?
C89 H89 0.9900 . ?
C89 H89A 0.9900 . ?
C90 C105 1.536(6) . ?
C90 C103 1.544(7) . ?
C91 C92 1.528(7) . ?
C91 H91 0.9900 . ?
C91 H91A 0.9900 . ?
C92 H92 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C93 C94 1.528(6) . ?
C93 H93 0.9900 . ?
C93 H93A 0.9900 . ?
C94 H94 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C95 C96 1.494(8) . ?
C95 H95 0.9900 . ?
C95 H95A 0.9900 . ?
C96 H96 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C97 C98 1.522(7) . ?
C97 H97 0.9900 . ?
C97 H97A 0.9900 . ?
C98 H98 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C99 C100 1.525(7) . ?
C99 H99 0.9900 . ?
C99 H99A 0.9900 . ?
C100 H100 0.9800 . ?
C100 H101 0.9800 . ?
C100 H102 0.9800 . ?
C101 C102 1.493(8) . ?
C101 H103 0.9900 . ?
C101 H104 0.9900 . ?
C102 H105 0.9800 . ?
C102 H106 0.9800 . ?
C102 H107 0.9800 . ?
C103 C104 1.529(7) . ?
C103 H108 0.9900 . ?
C103 H109 0.9900 . ?
C104 H110 0.9800 . ?
C104 H111 0.9800 . ?
C104 H112 0.9800 . ?
C105 C106 1.527(6) . ?
C105 H113 0.9900 . ?
C105 H114 0.9900 . ?
C106 H115 0.9800 . ?
C106 H116 0.9800 . ?
C106 H117 0.9800 . ?
C107 C108 1.407(6) . ?
C107 C112 1.408(6) . ?
C108 C109 1.406(6) . ?
C108 C113 1.531(6) . ?
C109 C110 1.377(6) . ?
C109 C115 1.521(6) . ?
C110 C111 1.385(6) . ?
C110 H118 0.9500 . ?
C111 C112 1.392(6) . ?
C111 C116 1.525(6) . ?
C112 C118 1.529(6) . ?
C113 C119 1.531(6) . ?
C113 C114 1.546(6) . ?
C113 C121 1.555(6) . ?
C114 C115 1.537(6) . ?
C114 H119 0.9900 . ?
C114 H120 0.9900 . ?
C115 C125 1.544(7) . ?
C115 C123 1.547(6) . ?
C116 C129 1.541(6) . ?
C116 C127 1.541(6) . ?
C116 C117 1.547(6) . ?
C117 C118 1.556(6) . ?
C117 H121 0.9900 . ?
C117 H122 0.9900 . ?
C118 C133 1.535(6) . ?
C118 C131 1.547(6) . ?
C119 C120 1.513(7) . ?
C119 H123 0.9900 . ?
C119 H124 0.9900 . ?
C120 H125 0.9800 . ?
C120 H126 0.9800 . ?
C120 H127 0.9800 . ?
C121 C122 1.503(7) . ?
C121 H128 0.9900 . ?
C121 H129 0.9900 . ?
C122 H130 0.9800 . ?
C122 H131 0.9800 . ?
C122 H132 0.9800 . ?
C123 C124 1.517(7) . ?
C123 H133 0.9900 . ?
C123 H134 0.9900 . ?
C124 H135 0.9800 . ?
C124 H136 0.9800 . ?
C124 H137 0.9800 . ?
C125 C126 1.527(7) . ?
C125 H138 0.9900 . ?
C125 H139 0.9900 . ?
C126 H140 0.9800 . ?
C126 H141 0.9800 . ?
C126 H142 0.9800 . ?
C127 C128 1.532(7) . ?
C127 H143 0.9900 . ?
C127 H144 0.9900 . ?
C128 H145 0.9800 . ?
C128 H146 0.9800 . ?
C128 H147 0.9800 . ?
C129 C130 1.519(7) . ?
C129 H148 0.9900 . ?
C129 H149 0.9900 . ?
C130 H150 0.9800 . ?
C130 H151 0.9800 . ?
C130 H152 0.9800 . ?
C131 C132 1.537(6) . ?
C131 H153 0.9900 . ?
C131 H154 0.9900 . ?
C132 H155 0.9800 . ?
C132 H156 0.9800 . ?
C132 H157 0.9800 . ?
C133 C134 1.521(6) . ?
C133 H158 0.9900 . ?
C133 H159 0.9900 . ?
C134 H160 0.9800 . ?
C134 H161 0.9800 . ?
C134 H162 0.9800 . ?
C135 C136 1.233(6) . ?
C136 C137 1.450(6) . ?
C137 C138 1.392(6) . ?
C137 C142 1.395(6) . ?
C138 C139 1.385(7) . ?
C138 H163 0.9500 . ?
C139 C140 1.373(7) . ?
C139 H164 0.9500 . ?
C140 C141 1.370(7) . ?
C140 H165 0.9500 . ?
C141 C142 1.389(6) . ?
C141 H166 0.9500 . ?
C142 H167 0.9500 . ?
P5A F5A 1.568(7) . ?
P5A F6A 1.569(7) . ?
P5A F1A 1.572(8) . ?
P5A F2A 1.589(7) . ?
P5A F3A 1.589(7) . ?
P5A F4A 1.613(7) . ?
P5B F5B 1.553(12) . ?
P5B F1B 1.553(12) . ?
P5B F6B 1.553(12) . ?
P5B F2B 1.580(12) . ?
P5B F3B 1.599(12) . ?
P5B F4B 1.616(12) . ?
P6A F8A 1.562(9) . ?
P6A F12A 1.568(8) . ?
P6A F10A 1.573(9) . ?
P6A F11A 1.581(8) . ?
P6A F7A 1.584(9) . ?
P6A F9A 1.609(8) . ?
P6B F12B 1.564(11) . ?
P6B F8B 1.564(11) . ?
P6B F10B 1.579(11) . ?
P6B F11B 1.584(11) . ?
P6B F7B 1.599(11) . ?
P6B F9B 1.610(11) . ?
O1 C143 1.431(9) . ?
O1 C145 1.465(10) . ?
C143 C144 1.421(10) . ?
C143 H168 0.9900 . ?
C143 H169 0.9900 . ?
C144 H170 0.9800 . ?
C144 H171 0.9800 . ?
C144 H172 0.9800 . ?
C145 C146 1.438(10) . ?
C145 H173 0.9900 . ?
C145 H174 0.9900 . ?
C146 H175 0.9800 . ?
C146 H176 0.9800 . ?
C146 H177 0.9800 . ?
O2 C147 1.373(17) . ?
O2 C149 1.474(17) . ?
C147 C148 1.460(18) . ?
C147 H178 0.9900 . ?
C147 H179 0.9900 . ?
C148 H180 0.9800 . ?
C148 H181 0.9800 . ?
C148 H182 0.9800 . ?
C149 C150 1.391(18) . ?
C149 H183 0.9900 . ?
C149 H184 0.9900 . ?
C150 H185 0.9800 . ?
C150 H186 0.9800 . ?
C150 H187 0.9800 . ?
O3 C153 1.393(16) . ?
O3 C151 1.427(16) . ?
C151 C152 1.558(16) . ?
C151 H188 0.9900 . ?
C151 H189 0.9900 . ?
C152 H190 0.9800 . ?
C152 H191 0.9800 . ?
C152 H192 0.9800 . ?
C153 C154 1.630(17) . ?
C153 H193 0.9900 . ?
C153 H194 0.9900 . ?
C154 H195 0.9800 . ?
C154 H196 0.9800 . ?
C154 H197 0.9800 . ?
O4 C155 1.458(17) . ?
O4 C157 1.476(16) . ?
C155 C156 1.569(18) . ?
C155 H198 0.9900 . ?
C155 H199 0.9900 . ?
C156 H200 0.9800 . ?
C156 H201 0.9800 . ?
C156 H202 0.9800 . ?
C157 C158 1.612(17) . ?
C157 H203 0.9900 . ?
C157 H204 0.9900 . ?
C158 H205 0.9800 . ?
C158 H206 0.9800 . ?
C158 H207 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C64 P1 C1 C3 84.6(3) . . . . ?
C8 P1 C1 C3 -158.7(3) . . . . ?
C36 P2 C2 C7 174.0(3) . . . . ?
Cu1 P2 C2 C7 2.1(4) . . . . ?
C7 N1 C3 C4 3.5(6) . . . . ?
Cu1 N1 C3 C4 -177.3(3) . . . . ?
C7 N1 C3 C1 -176.1(4) . . . . ?
Cu1 N1 C3 C1 3.1(5) . . . . ?
P1 C1 C3 N1 -57.0(5) . . . . ?
P1 C1 C3 C4 123.4(4) . . . . ?
N1 C3 C4 C5 -1.4(7) . . . . ?
C1 C3 C4 C5 178.2(5) . . . . ?
C3 C4 C5 C6 0.2(8) . . . . ?
C4 C5 C6 C7 -1.0(8) . . . . ?
C3 N1 C7 C6 -4.4(6) . . . . ?
Cu1 N1 C7 C6 176.4(3) . . . . ?
C3 N1 C7 C2 179.0(4) . . . . ?
Cu1 N1 C7 C2 -0.3(5) . . . . ?
C5 C6 C7 N1 3.1(7) . . . . ?
C5 C6 C7 C2 179.6(4) . . . . ?
P2 C2 C7 N1 -1.5(5) . . . . ?
P2 C2 C7 C6 -178.1(4) . . . . ?
C64 P1 C8 C13 -154.3(3) . . . . ?
C1 P1 C8 C13 100.4(3) . . . . ?
C64 P1 C8 C9 37.3(5) . . . . ?
C1 P1 C8 C9 -67.9(4) . . . . ?
C13 C8 C9 C10 -8.2(6) . . . . ?
P1 C8 C9 C10 159.6(4) . . . . ?
C13 C8 C9 C14 161.8(4) . . . . ?
P1 C8 C9 C14 -30.3(7) . . . . ?
C8 C9 C10 C11 5.4(7) . . . . ?
C14 C9 C10 C11 -166.6(4) . . . . ?
C8 C9 C10 C16 -174.5(4) . . . . ?
C14 C9 C10 C16 13.5(5) . . . . ?
C9 C10 C11 C12 1.2(7) . . . . ?
C16 C10 C11 C12 -178.9(4) . . . . ?
C10 C11 C12 C13 -4.8(7) . . . . ?
C10 C11 C12 C17 177.4(4) . . . . ?
C11 C12 C13 C8 1.7(6) . . . . ?
C17 C12 C13 C8 179.7(4) . . . . ?
C11 C12 C13 C19 -177.8(4) . . . . ?
C17 C12 C13 C19 0.2(5) . . . . ?
C9 C8 C13 C12 4.8(6) . . . . ?
P1 C8 C13 C12 -165.1(3) . . . . ?
C9 C8 C13 C19 -175.8(4) . . . . ?
P1 C8 C13 C19 14.3(6) . . . . ?
C10 C9 C14 C22 -121.3(4) . . . . ?
C8 C9 C14 C22 67.8(6) . . . . ?
C10 C9 C14 C20 114.0(4) . . . . ?
C8 C9 C14 C20 -56.9(6) . . . . ?
C10 C9 C14 C15 -2.2(5) . . . . ?
C8 C9 C14 C15 -173.1(4) . . . . ?
C22 C14 C15 C16 113.3(4) . . . . ?
C20 C14 C15 C16 -125.1(4) . . . . ?
C9 C14 C15 C16 -9.4(5) . . . . ?
C11 C10 C16 C15 161.6(4) . . . . ?
C9 C10 C16 C15 -18.5(5) . . . . ?
C11 C10 C16 C24 42.2(7) . . . . ?
C9 C10 C16 C24 -137.9(4) . . . . ?
C11 C10 C16 C26 -82.7(6) . . . . ?
C9 C10 C16 C26 97.2(5) . . . . ?
C14 C15 C16 C10 16.3(5) . . . . ?
C14 C15 C16 C24 135.2(4) . . . . ?
C14 C15 C16 C26 -100.1(5) . . . . ?
C11 C12 C17 C28 -50.0(6) . . . . ?
C13 C12 C17 C28 132.1(4) . . . . ?
C11 C12 C17 C30 71.0(5) . . . . ?
C13 C12 C17 C30 -107.0(4) . . . . ?
C11 C12 C17 C18 -171.0(4) . . . . ?
C13 C12 C17 C18 11.0(5) . . . . ?
C12 C17 C18 C19 -18.0(5) . . . . ?
C28 C17 C18 C19 -138.5(4) . . . . ?
C30 C17 C18 C19 97.4(4) . . . . ?
C17 C18 C19 C32 138.8(4) . . . . ?
C17 C18 C19 C34 -99.4(4) . . . . ?
C17 C18 C19 C13 18.2(5) . . . . ?
C12 C13 C19 C32 -128.0(4) . . . . ?
C8 C13 C19 C32 52.6(6) . . . . ?
C12 C13 C19 C34 106.0(4) . . . . ?
C8 C13 C19 C34 -73.4(6) . . . . ?
C12 C13 C19 C18 -11.2(5) . . . . ?
C8 C13 C19 C18 169.4(4) . . . . ?
C22 C14 C20 C21 -175.7(4) . . . . ?
C9 C14 C20 C21 -48.6(5) . . . . ?
C15 C14 C20 C21 63.3(5) . . . . ?
C20 C14 C22 C23 -53.0(5) . . . . ?
C9 C14 C22 C23 -176.7(4) . . . . ?
C15 C14 C22 C23 68.0(5) . . . . ?
C10 C16 C24 C25 176.8(5) . . . . ?
C15 C16 C24 C25 63.9(6) . . . . ?
C26 C16 C24 C25 -59.3(6) . . . . ?
C10 C16 C26 C27 69.2(6) . . . . ?
C15 C16 C26 C27 179.8(5) . . . . ?
C24 C16 C26 C27 -55.3(6) . . . . ?
C12 C17 C28 C29 -51.9(6) . . . . ?
C30 C17 C28 C29 -172.3(4) . . . . ?
C18 C17 C28 C29 62.1(5) . . . . ?
C12 C17 C30 C31 -176.8(4) . . . . ?
C28 C17 C30 C31 -54.0(5) . . . . ?
C18 C17 C30 C31 72.3(5) . . . . ?
C34 C19 C32 C33 164.6(4) . . . . ?
C18 C19 C32 C33 -73.8(5) . . . . ?
C13 C19 C32 C33 38.6(6) . . . . ?
C32 C19 C34 C35 57.8(5) . . . . ?
C18 C19 C34 C35 -62.8(5) . . . . ?
C13 C19 C34 C35 -174.4(4) . . . . ?
C2 P2 C36 C41 -77.3(4) . . . . ?
Cu1 P2 C36 C41 85.1(5) . . . . ?
C2 P2 C36 C37 104.0(4) . . . . ?
Cu1 P2 C36 C37 -93.6(4) . . . . ?
C41 C36 C37 C38 2.4(6) . . . . ?
P2 C36 C37 C38 -178.9(3) . . . . ?
C41 C36 C37 C42 -171.9(4) . . . . ?
P2 C36 C37 C42 6.9(6) . . . . ?
C36 C37 C38 C39 -0.5(6) . . . . ?
C42 C37 C38 C39 174.7(4) . . . . ?
C36 C37 C38 C44 -179.4(4) . . . . ?
C42 C37 C38 C44 -4.2(5) . . . . ?
C37 C38 C39 C40 -1.2(7) . . . . ?
C44 C38 C39 C40 177.5(4) . . . . ?
C38 C39 C40 C41 1.1(7) . . . . ?
C38 C39 C40 C45 179.8(4) . . . . ?
C39 C40 C41 C36 0.8(6) . . . . ?
C45 C40 C41 C36 -178.1(4) . . . . ?
C39 C40 C41 C47 -179.4(4) . . . . ?
C45 C40 C41 C47 1.7(5) . . . . ?
C37 C36 C41 C40 -2.5(6) . . . . ?
P2 C36 C41 C40 178.8(3) . . . . ?
C37 C36 C41 C47 177.8(4) . . . . ?
P2 C36 C41 C47 -0.9(6) . . . . ?
C38 C37 C42 C48 -105.6(4) . . . . ?
C36 C37 C42 C48 69.1(5) . . . . ?
C38 C37 C42 C50 132.6(4) . . . . ?
C36 C37 C42 C50 -52.7(6) . . . . ?
C38 C37 C42 C43 12.2(5) . . . . ?
C36 C37 C42 C43 -173.1(4) . . . . ?
C37 C42 C43 C44 -15.7(5) . . . . ?
C48 C42 C43 C44 99.3(4) . . . . ?
C50 C42 C43 C44 -138.6(4) . . . . ?
C39 C38 C44 C52 -65.6(5) . . . . ?
C37 C38 C44 C52 113.2(4) . . . . ?
C39 C38 C44 C54 54.9(6) . . . . ?
C37 C38 C44 C54 -126.3(4) . . . . ?
C39 C38 C44 C43 175.5(4) . . . . ?
C37 C38 C44 C43 -5.7(5) . . . . ?
C42 C43 C44 C38 13.3(4) . . . . ?
C42 C43 C44 C52 -103.3(4) . . . . ?
C42 C43 C44 C54 132.2(4) . . . . ?
C39 C40 C45 C46 166.2(4) . . . . ?
C41 C40 C45 C46 -14.9(5) . . . . ?
C39 C40 C45 C56 46.0(6) . . . . ?
C41 C40 C45 C56 -135.2(4) . . . . ?
C39 C40 C45 C58 -74.3(6) . . . . ?
C41 C40 C45 C58 104.5(4) . . . . ?
C40 C45 C46 C47 22.6(5) . . . . ?
C56 C45 C46 C47 142.9(4) . . . . ?
C58 C45 C46 C47 -92.4(5) . . . . ?
C40 C41 C47 C60 131.3(4) . . . . ?
C36 C41 C47 C60 -49.0(6) . . . . ?
C40 C41 C47 C62 -105.1(4) . . . . ?
C36 C41 C47 C62 74.7(6) . . . . ?
C40 C41 C47 C46 12.3(5) . . . . ?
C36 C41 C47 C46 -168.0(4) . . . . ?
C45 C46 C47 C60 -143.1(4) . . . . ?
C45 C46 C47 C41 -21.7(5) . . . . ?
C45 C46 C47 C62 95.6(4) . . . . ?
C37 C42 C48 C49 -178.3(4) . . . . ?
C50 C42 C48 C49 -53.3(5) . . . . ?
C43 C42 C48 C49 69.6(5) . . . . ?
C37 C42 C50 C51 -49.1(5) . . . . ?
C48 C42 C50 C51 -169.9(4) . . . . ?
C43 C42 C50 C51 66.9(5) . . . . ?
C38 C44 C52 C53 -178.1(4) . . . . ?
C54 C44 C52 C53 60.7(5) . . . . ?
C43 C44 C52 C53 -65.7(5) . . . . ?
C38 C44 C54 C55 49.6(5) . . . . ?
C52 C44 C54 C55 169.9(4) . . . . ?
C43 C44 C54 C55 -64.2(5) . . . . ?
C40 C45 C56 C57 50.8(6) . . . . ?
C46 C45 C56 C57 -62.8(5) . . . . ?
C58 C45 C56 C57 170.1(4) . . . . ?
C40 C45 C58 C59 -176.8(4) . . . . ?
C46 C45 C58 C59 -65.5(6) . . . . ?
C56 C45 C58 C59 60.9(6) . . . . ?
C41 C47 C60 C61 -43.1(6) . . . . ?
C62 C47 C60 C61 -167.5(4) . . . . ?
C46 C47 C60 C61 70.3(5) . . . . ?
C60 C47 C62 C63 -64.0(5) . . . . ?
C41 C47 C62 C63 169.7(4) . . . . ?
C46 C47 C62 C63 58.3(5) . . . . ?
C8 P1 C64 C65 117.9(17) . . . . ?
C1 P1 C64 C65 -139.4(17) . . . . ?
C8 P1 C64 Cu1 -152.53(19) . . . . ?
C1 P1 C64 Cu1 -49.8(2) . . . . ?
P1 C64 C65 C66 -96(2) . . . . ?
Cu1 C64 C65 C66 170.3(19) . . . . ?
P1 C64 C65 Cu1 93.5(17) . . . . ?
C64 C65 C66 C71 76(2) . . . . ?
Cu1 C65 C66 C71 -115.1(4) . . . . ?
C64 C65 C66 C67 -103.5(19) . . . . ?
Cu1 C65 C66 C67 65.6(5) . . . . ?
C71 C66 C67 C68 -1.6(7) . . . . ?
C65 C66 C67 C68 177.7(4) . . . . ?
C66 C67 C68 C69 1.2(7) . . . . ?
C67 C68 C69 C70 0.1(7) . . . . ?
C68 C69 C70 C71 -1.0(7) . . . . ?
C69 C70 C71 C66 0.5(7) . . . . ?
C67 C66 C71 C70 0.8(7) . . . . ?
C65 C66 C71 C70 -178.5(4) . . . . ?
C135 P3 C72 C74 -85.4(3) . . . . ?
C79 P3 C72 C74 157.2(3) . . . . ?
C107 P4 C73 C78 -174.3(3) . . . . ?
Cu2 P4 C73 C78 -1.8(4) . . . . ?
C78 N2 C74 C75 -2.6(6) . . . . ?
Cu2 N2 C74 C75 177.6(3) . . . . ?
C78 N2 C74 C72 176.6(4) . . . . ?
Cu2 N2 C74 C72 -3.3(5) . . . . ?
P3 C72 C74 N2 57.1(5) . . . . ?
P3 C72 C74 C75 -123.7(4) . . . . ?
N2 C74 C75 C76 1.2(7) . . . . ?
C72 C74 C75 C76 -178.0(5) . . . . ?
C74 C75 C76 C77 1.1(8) . . . . ?
C75 C76 C77 C78 -1.8(8) . . . . ?
C74 N2 C78 C77 1.8(6) . . . . ?
Cu2 N2 C78 C77 -178.3(3) . . . . ?
C74 N2 C78 C73 -178.9(4) . . . . ?
Cu2 N2 C78 C73 1.0(5) . . . . ?
C76 C77 C78 N2 0.4(7) . . . . ?
C76 C77 C78 C73 -178.9(4) . . . . ?
P4 C73 C78 N2 0.8(6) . . . . ?
P4 C73 C78 C77 -179.9(4) . . . . ?
C135 P3 C79 C80 154.7(3) . . . . ?
C72 P3 C79 C80 -99.2(3) . . . . ?
C135 P3 C79 C84 -35.0(5) . . . . ?
C72 P3 C79 C84 71.0(4) . . . . ?
C84 C79 C80 C81 -4.5(6) . . . . ?
P3 C79 C80 C81 167.0(3) . . . . ?
C84 C79 C80 C85 174.2(4) . . . . ?
P3 C79 C80 C85 -14.3(6) . . . . ?
C79 C80 C81 C82 0.2(7) . . . . ?
C85 C80 C81 C82 -178.8(4) . . . . ?
C79 C80 C81 C87 -178.9(4) . . . . ?
C85 C80 C81 C87 2.1(5) . . . . ?
C80 C81 C82 C83 4.1(7) . . . . ?
C87 C81 C82 C83 -176.9(4) . . . . ?
C81 C82 C83 C84 -4.0(7) . . . . ?
C81 C82 C83 C88 174.6(4) . . . . ?
C82 C83 C84 C79 -0.4(7) . . . . ?
C88 C83 C84 C79 -179.1(4) . . . . ?
C82 C83 C84 C90 173.4(4) . . . . ?
C88 C83 C84 C90 -5.3(6) . . . . ?
C80 C79 C84 C83 4.6(6) . . . . ?
P3 C79 C84 C83 -165.0(4) . . . . ?
C80 C79 C84 C90 -167.8(4) . . . . ?
P3 C79 C84 C90 22.6(7) . . . . ?
C81 C80 C85 C91 126.8(4) . . . . ?
C79 C80 C85 C91 -52.0(6) . . . . ?
C81 C80 C85 C93 -108.1(4) . . . . ?
C79 C80 C85 C93 73.1(6) . . . . ?
C81 C80 C85 C86 9.8(5) . . . . ?
C79 C80 C85 C86 -169.0(5) . . . . ?
C91 C85 C86 C87 -139.4(4) . . . . ?
C93 C85 C86 C87 99.9(4) . . . . ?
C80 C85 C86 C87 -18.3(5) . . . . ?
C82 C81 C87 C86 167.7(4) . . . . ?
C80 C81 C87 C86 -13.2(5) . . . . ?
C82 C81 C87 C95 47.0(6) . . . . ?
C80 C81 C87 C95 -134.0(4) . . . . ?
C82 C81 C87 C97 -73.4(6) . . . . ?
C80 C81 C87 C97 105.6(4) . . . . ?
C85 C86 C87 C81 19.3(5) . . . . ?
C85 C86 C87 C95 140.2(4) . . . . ?
C85 C86 C87 C97 -96.0(5) . . . . ?
C82 C83 C88 C101 62.8(6) . . . . ?
C84 C83 C88 C101 -118.5(5) . . . . ?
C82 C83 C88 C89 -175.8(5) . . . . ?
C84 C83 C88 C89 2.9(5) . . . . ?
C82 C83 C88 C99 -58.0(6) . . . . ?
C84 C83 C88 C99 120.7(4) . . . . ?
C83 C88 C89 C90 0.6(5) . . . . ?
C101 C88 C89 C90 120.5(5) . . . . ?
C99 C88 C89 C90 -115.5(4) . . . . ?
C83 C84 C90 C105 123.6(4) . . . . ?
C79 C84 C90 C105 -63.5(6) . . . . ?
C83 C84 C90 C103 -112.0(4) . . . . ?
C79 C84 C90 C103 61.0(6) . . . . ?
C83 C84 C90 C89 5.1(5) . . . . ?
C79 C84 C90 C89 178.1(5) . . . . ?
C88 C89 C90 C105 -124.8(4) . . . . ?
C88 C89 C90 C84 -3.4(5) . . . . ?
C88 C89 C90 C103 113.5(4) . . . . ?
C93 C85 C91 C92 -165.2(4) . . . . ?
C80 C85 C91 C92 -39.4(5) . . . . ?
C86 C85 C91 C92 73.6(5) . . . . ?
C91 C85 C93 C94 -56.7(5) . . . . ?
C80 C85 C93 C94 175.7(4) . . . . ?
C86 C85 C93 C94 63.3(5) . . . . ?
C81 C87 C95 C96 42.0(6) . . . . ?
C86 C87 C95 C96 -72.1(6) . . . . ?
C97 C87 C95 C96 162.0(5) . . . . ?
C81 C87 C97 C98 178.6(4) . . . . ?
C86 C87 C97 C98 -70.1(6) . . . . ?
C95 C87 C97 C98 55.7(6) . . . . ?
C83 C88 C99 C100 -178.7(4) . . . . ?
C101 C88 C99 C100 59.3(6) . . . . ?
C89 C88 C99 C100 -67.0(6) . . . . ?
C83 C88 C101 C102 51.8(7) . . . . ?
C89 C88 C101 C102 -62.6(6) . . . . ?
C99 C88 C101 C102 172.3(5) . . . . ?
C105 C90 C103 C104 176.9(4) . . . . ?
C84 C90 C103 C104 50.5(5) . . . . ?
C89 C90 C103 C104 -61.9(5) . . . . ?
C84 C90 C105 C106 -179.6(4) . . . . ?
C103 C90 C105 C106 56.4(5) . . . . ?
C89 C90 C105 C106 -65.1(5) . . . . ?
C73 P4 C107 C108 77.8(4) . . . . ?
Cu2 P4 C107 C108 -85.9(5) . . . . ?
C73 P4 C107 C112 -104.0(4) . . . . ?
Cu2 P4 C107 C112 92.3(4) . . . . ?
C112 C107 C108 C109 3.4(6) . . . . ?
P4 C107 C108 C109 -178.4(3) . . . . ?
C112 C107 C108 C113 -175.9(4) . . . . ?
P4 C107 C108 C113 2.4(7) . . . . ?
C107 C108 C109 C110 -0.4(7) . . . . ?
C113 C108 C109 C110 179.0(4) . . . . ?
C107 C108 C109 C115 179.1(4) . . . . ?
C113 C108 C109 C115 -1.5(5) . . . . ?
C108 C109 C110 C111 -1.8(7) . . . . ?
C115 C109 C110 C111 178.8(4) . . . . ?
C109 C110 C111 C112 1.0(7) . . . . ?
C109 C110 C111 C116 -175.0(4) . . . . ?
C110 C111 C112 C107 2.0(7) . . . . ?
C116 C111 C112 C107 178.5(4) . . . . ?
C110 C111 C112 C118 -173.5(4) . . . . ?
C116 C111 C112 C118 3.0(5) . . . . ?
C108 C107 C112 C111 -4.2(6) . . . . ?
P4 C107 C112 C111 177.6(3) . . . . ?
C108 C107 C112 C118 170.4(4) . . . . ?
P4 C107 C112 C118 -7.8(6) . . . . ?
C109 C108 C113 C119 -131.7(4) . . . . ?
C107 C108 C113 C119 47.6(6) . . . . ?
C109 C108 C113 C114 -13.3(5) . . . . ?
C107 C108 C113 C114 166.1(4) . . . . ?
C109 C108 C113 C121 104.4(4) . . . . ?
C107 C108 C113 C121 -76.3(6) . . . . ?
C108 C113 C114 C115 23.3(5) . . . . ?
C119 C113 C114 C115 144.8(4) . . . . ?
C121 C113 C114 C115 -93.6(4) . . . . ?
C110 C109 C115 C114 -164.9(4) . . . . ?
C108 C109 C115 C114 15.6(5) . . . . ?
C110 C109 C115 C125 75.7(6) . . . . ?
C108 C109 C115 C125 -103.8(4) . . . . ?
C110 C109 C115 C123 -44.9(6) . . . . ?
C108 C109 C115 C123 135.6(4) . . . . ?
C113 C114 C115 C109 -24.0(5) . . . . ?
C113 C114 C115 C125 92.2(5) . . . . ?
C113 C114 C115 C123 -144.3(4) . . . . ?
C110 C111 C116 C129 -57.0(6) . . . . ?
C112 C111 C116 C129 126.7(4) . . . . ?
C110 C111 C116 C127 63.7(6) . . . . ?
C112 C111 C116 C127 -112.6(4) . . . . ?
C110 C111 C116 C117 -177.6(4) . . . . ?
C112 C111 C116 C117 6.1(5) . . . . ?
C111 C116 C117 C118 -12.6(5) . . . . ?
C129 C116 C117 C118 -133.0(4) . . . . ?
C127 C116 C117 C118 103.5(4) . . . . ?
C111 C112 C118 C133 -131.7(4) . . . . ?
C107 C112 C118 C133 53.3(6) . . . . ?
C111 C112 C118 C131 106.6(4) . . . . ?
C107 C112 C118 C131 -68.4(6) . . . . ?
C111 C112 C118 C117 -10.6(5) . . . . ?
C107 C112 C118 C117 174.4(4) . . . . ?
C116 C117 C118 C112 14.3(5) . . . . ?
C116 C117 C118 C133 137.7(4) . . . . ?
C116 C117 C118 C131 -100.4(4) . . . . ?
C108 C113 C119 C120 44.8(6) . . . . ?
C114 C113 C119 C120 -68.5(5) . . . . ?
C121 C113 C119 C120 169.0(4) . . . . ?
C108 C113 C121 C122 -165.9(4) . . . . ?
C119 C113 C121 C122 67.4(5) . . . . ?
C114 C113 C121 C122 -54.6(5) . . . . ?
C109 C115 C123 C124 -50.7(6) . . . . ?
C114 C115 C123 C124 62.4(6) . . . . ?
C125 C115 C123 C124 -171.5(4) . . . . ?
C109 C115 C125 C126 173.4(4) . . . . ?
C114 C115 C125 C126 62.0(6) . . . . ?
C123 C115 C125 C126 -63.5(5) . . . . ?
C111 C116 C127 C128 -179.3(4) . . . . ?
C129 C116 C127 C128 -57.0(6) . . . . ?
C117 C116 C127 C128 68.1(5) . . . . ?
C111 C116 C129 C130 -50.0(5) . . . . ?
C127 C116 C129 C130 -170.2(4) . . . . ?
C117 C116 C129 C130 64.9(5) . . . . ?
C112 C118 C131 C132 177.7(4) . . . . ?
C133 C118 C131 C132 52.6(5) . . . . ?
C117 C118 C131 C132 -70.5(5) . . . . ?
C112 C118 C133 C134 48.9(5) . . . . ?
C131 C118 C133 C134 169.6(4) . . . . ?
C117 C118 C133 C134 -67.5(5) . . . . ?
C79 P3 C135 C136 -116.4(16) . . . . ?
C72 P3 C135 C136 138.9(17) . . . . ?
C79 P3 C135 Cu2 155.68(19) . . . . ?
C72 P3 C135 Cu2 50.9(2) . . . . ?
P3 C135 C136 C137 100(2) . . . . ?
Cu2 C135 C136 C137 -168(2) . . . . ?
P3 C135 C136 Cu2 -91.8(17) . . . . ?
C135 C136 C137 C138 -80(2) . . . . ?
Cu2 C136 C137 C138 113.2(4) . . . . ?
C135 C136 C137 C142 99(2) . . . . ?
Cu2 C136 C137 C142 -67.6(5) . . . . ?
C142 C137 C138 C139 -0.8(7) . . . . ?
C136 C137 C138 C139 178.4(4) . . . . ?
C137 C138 C139 C140 0.0(7) . . . . ?
C138 C139 C140 C141 0.6(7) . . . . ?
C139 C140 C141 C142 -0.4(7) . . . . ?
C140 C141 C142 C137 -0.4(7) . . . . ?
C138 C137 C142 C141 1.0(7) . . . . ?
C136 C137 C142 C141 -178.2(4) . . . . ?
C145 O1 C143 C144 174.6(7) . . . . ?
C143 O1 C145 C146 -177.4(7) . . . . ?
C149 O2 C147 C148 -163.8(16) . . . . ?
C147 O2 C149 C150 -168.1(17) . . . . ?
C153 O3 C151 C152 166.9(18) . . . . ?
C151 O3 C153 C154 -177.4(18) . . . . ?
C157 O4 C155 C156 169.0(19) . . . . ?
C155 O4 C157 C158 -171(3) . . . . ?
