#------------------------------------------------------------------------------
#$Date: 2017-03-02 17:12:34 +0200 (Thu, 02 Mar 2017) $
#$Revision: 192777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/64/7106445.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_7106445
loop_
_publ_author_name
'Dry, Emily'
'Clegg, Jack'
'Breiner, Boris'
'Whitaker, Daniel'
'Stefak, Roman'
'Nitschke, Jonathan'
_publ_section_title
;
 Anion templation under pH control of self-assembled [2+2] and [3+3]
 metallomacrocycles containing a new dicopper(I) motif
;
_journal_coden_Cambridge         0182
_journal_name_full               Chem.Commun.
_journal_page_first              6021
_journal_paper_doi               10.1039/c1cc11206f
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C52 H44 Cu2 N6 P2, 2(H S O4), 2(C2 H3 N)'
_chemical_formula_sum            'C56 H52 Cu2 N8 O8 P2 S2'
_chemical_formula_weight         1218.20
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.16(3)
_cell_angle_beta                 91.69(3)
_cell_angle_gamma                105.61(3)
_cell_formula_units_Z            2
_cell_length_a                   12.360(3)
_cell_length_b                   14.495(3)
_cell_length_c                   16.258(3)
_cell_measurement_reflns_used    42600
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     2789.6(11)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_molecular_graphics
;ORTEP-3 (Farrugia, 1997)
WINGX-32 (Farrugia, 1999)
;
_computing_publication_material  'enCIFer 1.1 (CCDC, 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SIR-97 (Altomare et al. 1999)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1261
_diffrn_reflns_av_sigmaI/netI    0.1195
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            60657
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         3.22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.956
_exptl_absorpt_correction_T_max  1.007
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.441
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     696
_refine_ls_number_reflns         12532
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1474
_refine_ls_R_factor_gt           0.0829
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1173P)²+7.9628P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2241
_refine_ls_wR_factor_ref         0.2499
_reflns_number_gt                7020
_reflns_number_total             12532
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc11206f.txt
_cod_data_source_block           jn1031
_cod_depositor_comments
;
The following automatic conversions were performed:
data name '_symmetry_inl_tables_number' replaced with
'_symmetry_Int_Tables_number' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 
;
_cod_original_cell_volume        2789.5(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106445
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3631(6) 0.4824(5) 0.9268(4) 0.0424(17) Uani 1 1 d . . .
C2 C 0.3007(7) 0.3963(5) 0.9506(4) 0.0441(17) Uani 1 1 d . . .
H2 H 0.3211 0.3390 0.9340 0.053 Uiso 1 1 calc R . .
C3 C 0.2083(7) 0.3912(6) 0.9983(4) 0.0503(19) Uani 1 1 d . . .
H3 H 0.1636 0.3303 1.0109 0.060 Uiso 1 1 calc R . .
C4 C 0.1816(6) 0.4732(5) 1.0272(4) 0.0404(16) Uani 1 1 d . . .
H4 H 0.1267 0.4718 1.0671 0.049 Uiso 1 1 calc R . .
C5 C 0.2360(8) 0.5574(6) 0.9969(5) 0.057(2) Uani 1 1 d . . .
H5 H 0.2073 0.6118 1.0065 0.068 Uiso 1 1 calc R . .
C6 C 0.3331(7) 0.5660(6) 0.9521(5) 0.055(2) Uani 1 1 d . . .
H6 H 0.3771 0.6271 0.9394 0.066 Uiso 1 1 calc R . .
C7 C 0.5332(6) 0.5544(5) 0.8683(4) 0.0409(17) Uani 1 1 d . . .
H7 H 0.5311 0.6148 0.8952 0.049 Uiso 1 1 calc R . .
C8 C 0.6257(6) 0.5484(5) 0.8172(4) 0.0370(15) Uani 1 1 d . . .
C9 C 0.7066(5) 0.4485(5) 0.7360(4) 0.0335(14) Uani 1 1 d . . .
C10 C 0.7989(6) 0.5262(5) 0.7223(4) 0.0377(15) Uani 1 1 d . . .
H10 H 0.8573 0.5167 0.6887 0.045 Uiso 1 1 calc R . .
C11 C 0.8019(7) 0.6179(5) 0.7597(5) 0.0511(19) Uani 1 1 d . . .
H11 H 0.8635 0.6718 0.7532 0.061 Uiso 1 1 calc R . .
C12 C 0.7131(7) 0.6282(5) 0.8065(5) 0.0472(18) Uani 1 1 d . . .
H12 H 0.7123 0.6900 0.8311 0.057 Uiso 1 1 calc R . .
C13 C 0.7847(5) 0.2873(5) 0.7731(4) 0.0318(14) Uani 1 1 d . . .
C14 C 0.8822(5) 0.3560(6) 0.8120(4) 0.0389(16) Uani 1 1 d . . .
H14 H 0.9008 0.4220 0.8025 0.047 Uiso 1 1 calc R . .
C15 C 0.9499(7) 0.3194(6) 0.8661(4) 0.052(2) Uani 1 1 d . . .
H15 H 1.0186 0.3609 0.8904 0.063 Uiso 1 1 calc R . .
C16 C 0.9172(7) 0.2240(7) 0.8838(5) 0.058(2) Uani 1 1 d . . .
H16 H 0.9631 0.2014 0.9206 0.070 Uiso 1 1 calc R . .
C17 C 0.8186(8) 0.1619(6) 0.8482(5) 0.058(2) Uani 1 1 d . . .
H17 H 0.7963 0.0974 0.8620 0.070 Uiso 1 1 calc R . .
C18 C 0.7514(6) 0.1925(5) 0.7926(4) 0.0436(17) Uani 1 1 d . . .
H18 H 0.6837 0.1494 0.7682 0.052 Uiso 1 1 calc R . .
C19 C 0.7892(5) 0.3448(4) 0.6074(4) 0.0333(14) Uani 1 1 d . . .
C20 C 0.8827(6) 0.3106(6) 0.5984(4) 0.0432(17) Uani 1 1 d . . .
H20 H 0.9053 0.2770 0.6403 0.052 Uiso 1 1 calc R . .
C21 C 0.9437(7) 0.3253(7) 0.5281(5) 0.059(2) Uani 1 1 d . . .
H21 H 1.0067 0.3002 0.5213 0.070 Uiso 1 1 calc R . .
C22 C 0.9127(7) 0.3766(6) 0.4680(5) 0.055(2) Uani 1 1 d . . .
H22 H 0.9556 0.3883 0.4206 0.066 Uiso 1 1 calc R . .
C23 C 0.8197(6) 0.4104(6) 0.4770(4) 0.0475(18) Uani 1 1 d . . .
H23 H 0.7993 0.4466 0.4362 0.057 Uiso 1 1 calc R . .
C24 C 0.7556(6) 0.3921(5) 0.5450(4) 0.0390(16) Uani 1 1 d . . .
H24 H 0.6885 0.4119 0.5490 0.047 Uiso 1 1 calc R . .
C25 C 0.6410(5) 0.0938(5) 0.5297(4) 0.0351(15) Uani 1 1 d . . .
C26 C 0.6359(7) 0.0326(5) 0.5899(5) 0.0473(18) Uani 1 1 d . . .
H26 H 0.5860 0.0332 0.6331 0.057 Uiso 1 1 calc R . .
C27 C 0.7040(7) -0.0310(6) 0.5881(5) 0.052(2) Uani 1 1 d . . .
H27 H 0.6998 -0.0724 0.6307 0.063 Uiso 1 1 calc R . .
C28 C 0.7789(5) -0.0347(5) 0.5242(4) 0.0406(16) Uani 1 1 d . . .
H28 H 0.8215 -0.0804 0.5212 0.049 Uiso 1 1 calc R . .
C29 C 0.7872(7) 0.0319(6) 0.4656(5) 0.053(2) Uani 1 1 d . . .
H29 H 0.8409 0.0354 0.4246 0.064 Uiso 1 1 calc R . .
C30 C 0.7147(7) 0.0951(6) 0.4674(5) 0.0506(19) Uani 1 1 d . . .
H30 H 0.7178 0.1375 0.4258 0.061 Uiso 1 1 calc R . .
C31 C 0.5339(6) 0.1902(5) 0.4757(4) 0.0390(16) Uani 1 1 d . . .
H31 H 0.5492 0.1692 0.4214 0.047 Uiso 1 1 calc R . .
C32 C 0.4659(5) 0.2594(5) 0.4889(4) 0.0346(14) Uani 1 1 d . . .
C33 C 0.3827(5) 0.3411(5) 0.5855(4) 0.0315(14) Uani 1 1 d . . .
C34 C 0.3433(6) 0.3850(5) 0.5242(4) 0.0410(16) Uani 1 1 d . . .
H34 H 0.3010 0.4295 0.5380 0.049 Uiso 1 1 calc R . .
C35 C 0.3649(7) 0.3651(6) 0.4430(4) 0.0480(18) Uani 1 1 d . . .
H35 H 0.3386 0.3959 0.4005 0.058 Uiso 1 1 calc R . .
C36 C 0.4259(6) 0.2990(5) 0.4244(4) 0.0429(17) Uani 1 1 d . . .
H36 H 0.4398 0.2815 0.3688 0.051 Uiso 1 1 calc R . .
C37 C 0.2162(5) 0.2453(4) 0.6856(4) 0.0287(13) Uani 1 1 d . . .
C38 C 0.1842(6) 0.2002(5) 0.7557(4) 0.0398(16) Uani 1 1 d . . .
H38 H 0.2320 0.2185 0.8046 0.048 Uiso 1 1 calc R . .
C39 C 0.0831(6) 0.1283(6) 0.7563(5) 0.0506(19) Uani 1 1 d . . .
H39 H 0.0611 0.0985 0.8051 0.061 Uiso 1 1 calc R . .
C40 C 0.0137(6) 0.1007(6) 0.6815(5) 0.0480(18) Uani 1 1 d . . .
H40 H -0.0562 0.0528 0.6806 0.058 Uiso 1 1 calc R . .
C41 C 0.0474(6) 0.1430(5) 0.6113(5) 0.0458(18) Uani 1 1 d . . .
H41 H 0.0018 0.1252 0.5613 0.055 Uiso 1 1 calc R . .
C42 C 0.1475(5) 0.2108(4) 0.6147(4) 0.0277(13) Uani 1 1 d . . .
H42 H 0.1723 0.2366 0.5647 0.033 Uiso 1 1 calc R . .
C43 C 0.2885(5) 0.4512(4) 0.7042(4) 0.0291(13) Uani 1 1 d . . .
C44 C 0.1795(6) 0.4490(5) 0.7264(4) 0.0404(16) Uani 1 1 d . . .
H44 H 0.1258 0.3889 0.7297 0.048 Uiso 1 1 calc R . .
C45 C 0.1497(7) 0.5319(6) 0.7431(5) 0.0500(19) Uani 1 1 d . . .
H45 H 0.0754 0.5288 0.7588 0.060 Uiso 1 1 calc R . .
C46 C 0.2248(7) 0.6206(6) 0.7380(5) 0.0506(19) Uani 1 1 d . . .
H46 H 0.2023 0.6780 0.7494 0.061 Uiso 1 1 calc R . .
C47 C 0.3317(7) 0.6251(5) 0.7163(5) 0.0483(18) Uani 1 1 d . . .
H47 H 0.3837 0.6859 0.7123 0.058 Uiso 1 1 calc R . .
C48 C 0.3652(6) 0.5411(5) 0.7001(4) 0.0397(16) Uani 1 1 d . . .
H48 H 0.4403 0.5449 0.6861 0.048 Uiso 1 1 calc R . .
C49 C 0.4930(6) 0.1982(5) 0.9019(4) 0.0419(16) Uani 1 1 d . . .
C51 C 0.4964(8) 0.1165(6) 0.9454(5) 0.056(2) Uani 1 1 d . . .
H51A H 0.4212 0.0864 0.9634 0.084 Uiso 1 1 calc R . .
H51B H 0.5494 0.1378 0.9937 0.084 Uiso 1 1 calc R . .
H51C H 0.5208 0.0696 0.9084 0.084 Uiso 1 1 calc R . .
C52 C 0.3678(6) 0.0585(5) 0.7278(4) 0.0396(16) Uani 1 1 d . . .
C53 C 0.2852(8) -0.0171(6) 0.7643(6) 0.062(2) Uani 1 1 d . . .
H53A H 0.3217 -0.0646 0.7824 0.092 Uiso 1 1 calc R . .
H53B H 0.2241 -0.0488 0.7230 0.092 Uiso 1 1 calc R . .
H53C H 0.2545 0.0116 0.8119 0.092 Uiso 1 1 calc R . .
N1 N 0.4553(5) 0.4794(4) 0.8773(3) 0.0366(13) Uani 1 1 d . . .
N2 N 0.6226(4) 0.4597(4) 0.7809(3) 0.0313(12) Uani 1 1 d . . .
N3 N 0.5710(4) 0.1594(4) 0.5373(3) 0.0347(12) Uani 1 1 d . . .
N4 N 0.4468(4) 0.2802(4) 0.5687(3) 0.0313(12) Uani 1 1 d . . .
N5 N 0.4865(5) 0.2616(4) 0.8647(3) 0.0367(13) Uani 1 1 d . . .
N6 N 0.4320(5) 0.1186(4) 0.7021(3) 0.0407(14) Uani 1 1 d . . .
N7 N 0.948(2) -0.1702(13) 0.6261(15) 0.083(3) Uani 0.50 1 d PD A 1
C54 C 0.915(3) -0.149(2) 0.6893(17) 0.083(3) Uani 0.50 1 d PD A 1
C55 C 0.900(5) -0.125(4) 0.7739(17) 0.083(3) Uani 0.50 1 d PD A 1
H55A H 0.9735 -0.0945 0.8027 0.125 Uiso 0.50 1 calc PR A 1
H55B H 0.8627 -0.1830 0.7992 0.125 Uiso 0.50 1 calc PR A 1
H55C H 0.8535 -0.0795 0.7783 0.125 Uiso 0.50 1 calc PR A 1
N7A N 0.907(2) -0.1972(13) 0.6150(15) 0.083(3) Uani 0.50 1 d PD B 2
C54A C 0.910(3) -0.163(2) 0.6827(16) 0.083(3) Uani 0.50 1 d PD B 2
C55A C 0.886(5) -0.125(4) 0.7617(16) 0.083(3) Uani 0.50 1 d PD B 2
H55D H 0.8107 -0.1156 0.7590 0.125 Uiso 0.50 1 calc PR B 2
H55E H 0.9417 -0.0635 0.7784 0.125 Uiso 0.50 1 calc PR B 2
H55F H 0.8895 -0.1707 0.8022 0.125 Uiso 0.50 1 calc PR B 2
N8 N 0.9647(9) 0.2989(9) 1.1281(8) 0.085(2) Uani 0.75 1 d PD C 1
C56 C 0.8786(11) 0.2481(11) 1.1027(10) 0.085(2) Uani 0.75 1 d PD C 1
C57 C 0.7708(11) 0.1942(11) 1.0694(10) 0.085(2) Uani 0.75 1 d PD C 1
H57A H 0.7158 0.1927 1.1118 0.127 Uiso 0.75 1 calc PR C 1
H57B H 0.7725 0.1284 1.0511 0.127 Uiso 0.75 1 calc PR C 1
H57C H 0.7494 0.2243 1.0221 0.127 Uiso 0.75 1 calc PR C 1
N8A N 0.952(3) 0.245(3) 1.176(2) 0.085(2) Uani 0.25 1 d PD D 2
C56A C 0.881(3) 0.209(4) 1.125(3) 0.085(2) Uani 0.25 1 d PD D 2
C57A C 0.789(3) 0.175(3) 1.067(2) 0.085(2) Uani 0.25 1 d PD D 2
H57D H 0.7200 0.1805 1.0929 0.127 Uiso 0.25 1 d PR D 2
H57E H 0.7816 0.1069 1.0488 0.127 Uiso 0.25 1 d PR D 2
H57F H 0.8011 0.2124 1.0195 0.127 Uiso 0.25 1 d PR D 2
O1 O 0.9025(5) 0.0049(5) 1.0750(4) 0.0723(17) Uani 1 1 d . . .
H1 H 0.9482 0.0450 1.0498 0.108 Uiso 1 1 calc R . .
O2 O 0.7599(6) -0.1427(5) 1.0586(4) 0.0762(18) Uani 1 1 d . . .
O3 O 0.9203(6) -0.1254(5) 0.9777(4) 0.0723(17) Uani 1 1 d . . .
O4 O 0.7839(6) -0.0372(5) 0.9505(4) 0.0746(18) Uani 1 1 d . . .
O5 O 0.4962(13) -0.2165(11) 0.8653(8) 0.0816(18) Uani 0.50 1 d P E 1
O6 O 0.6012(17) -0.0552(16) 0.8493(11) 0.0816(18) Uani 0.50 1 d P E 1
H6A H 0.6251 -0.0665 0.8953 0.122 Uiso 0.50 1 calc PR E 1
O7 O 0.5956(16) -0.2160(12) 0.7807(10) 0.0816(18) Uani 0.50 1 d P E 1
O8 O 0.4601(14) -0.1303(12) 0.7459(9) 0.0816(18) Uani 0.50 1 d P E 1
O5A O 0.4559(13) -0.1574(11) 0.8561(8) 0.0816(18) Uani 0.50 1 d P E 2
O6A O 0.6281(18) -0.0467(16) 0.8276(11) 0.0816(18) Uani 0.50 1 d P E 2
H6A1 H 0.6554 -0.0463 0.8756 0.122 Uiso 0.50 1 calc PR E 2
O7A O 0.5020(14) -0.1260(12) 0.7176(9) 0.0816(18) Uani 0.50 1 d P E 2
O8A O 0.6219(16) -0.1908(12) 0.7544(10) 0.0816(18) Uani 0.50 1 d P E 2
P1 P 0.69862(13) 0.32366(12) 0.69506(10) 0.0297(4) Uani 1 1 d . . .
P2 P 0.34243(13) 0.34537(12) 0.69386(9) 0.0289(4) Uani 1 1 d . . .
S1 S 0.83567(17) -0.07695(15) 1.01366(12) 0.0516(5) Uani 1 1 d . . .
S2 S 0.53947(17) -0.14669(15) 0.80177(12) 0.0501(5) Uani 1 1 d . . .
Cu1 Cu 0.47126(6) 0.36000(6) 0.79501(4) 0.0319(2) Uani 1 1 d D . .
Cu2 Cu 0.53476(6) 0.22392(6) 0.65172(4) 0.0313(2) Uani 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 118.8(7) . . ?
C2 C1 N1 116.9(6) . . ?
C6 C1 N1 124.3(7) . . ?
C1 C2 C3 121.5(7) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 120.2(8) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 118.1(7) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
C4 C5 C6 122.0(7) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C1 C6 C5 118.1(8) . . ?
C1 C6 H6 120.9 . . ?
C5 C6 H6 120.9 . . ?
N1 C7 C8 120.3(6) . . ?
N1 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
N2 C8 C12 121.5(7) . . ?
N2 C8 C7 116.3(6) . . ?
C12 C8 C7 122.1(6) . . ?
N2 C9 C10 122.4(6) . . ?
N2 C9 P1 115.9(5) . . ?
C10 C9 P1 121.6(5) . . ?
C11 C10 C9 118.1(7) . . ?
C11 C10 H10 121.0 . . ?
C9 C10 H10 121.0 . . ?
C12 C11 C10 118.6(7) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
C8 C12 C11 119.8(7) . . ?
C8 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C18 C13 C14 122.3(6) . . ?
C18 C13 P1 118.0(5) . . ?
C14 C13 P1 119.7(5) . . ?
C15 C14 C13 115.8(7) . . ?
C15 C14 H14 122.1 . . ?
C13 C14 H14 122.1 . . ?
C16 C15 C14 121.2(7) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 120.5(7) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 120.8(8) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C13 119.0(7) . . ?
C17 C18 H18 120.5 . . ?
C13 C18 H18 120.5 . . ?
C20 C19 C24 119.5(6) . . ?
C20 C19 P1 123.5(5) . . ?
C24 C19 P1 116.9(5) . . ?
C19 C20 C21 120.1(6) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 120.0(7) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 119.8(7) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.4(7) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 120.0(6) . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?
C26 C25 C30 120.3(6) . . ?
C26 C25 N3 117.2(6) . . ?
C30 C25 N3 122.3(7) . . ?
C25 C26 C27 120.5(7) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C28 121.5(8) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 H27 119.2 . . ?
C29 C28 C27 117.1(7) . . ?
C29 C28 H28 121.4 . . ?
C27 C28 H28 121.4 . . ?
C28 C29 C30 120.3(7) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 120.0(7) . . ?
C25 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
N3 C31 C32 119.2(6) . . ?
N3 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
N4 C32 C36 123.3(6) . . ?
N4 C32 C31 114.4(6) . . ?
C36 C32 C31 122.3(6) . . ?
N4 C33 C34 121.5(6) . . ?
N4 C33 P2 112.8(4) . . ?
C34 C33 P2 125.3(5) . . ?
C33 C34 C35 120.4(6) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C36 118.6(6) . . ?
C34 C35 H35 120.7 . . ?
C36 C35 H35 120.7 . . ?
C32 C36 C35 118.2(6) . . ?
C32 C36 H36 120.9 . . ?
C35 C36 H36 120.9 . . ?
C38 C37 C42 116.6(6) . . ?
C38 C37 P2 118.0(5) . . ?
C42 C37 P2 125.4(5) . . ?
C37 C38 C39 121.5(6) . . ?
C37 C38 H38 119.3 . . ?
C39 C38 H38 119.3 . . ?
C38 C39 C40 118.3(7) . . ?
C38 C39 H39 120.9 . . ?
C40 C39 H39 120.9 . . ?
C41 C40 C39 120.2(7) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C42 C41 C40 118.3(6) . . ?
C42 C41 H41 120.8 . . ?
C40 C41 H41 120.8 . . ?
C41 C42 C37 124.8(6) . . ?
C41 C42 H42 117.6 . . ?
C37 C42 H42 117.6 . . ?
C44 C43 C48 118.0(6) . . ?
C44 C43 P2 123.9(5) . . ?
C48 C43 P2 117.5(5) . . ?
C45 C44 C43 120.6(7) . . ?
C45 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C44 C45 C46 121.4(8) . . ?
C44 C45 H45 119.3 . . ?
C46 C45 H45 119.3 . . ?
C47 C46 C45 119.3(7) . . ?
C47 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
C46 C47 C48 120.5(7) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C47 C48 C43 120.1(7) . . ?
C47 C48 H48 120.0 . . ?
C43 C48 H48 120.0 . . ?
N5 C49 C51 177.1(8) . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
N6 C52 C53 177.7(8) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C7 N1 C1 121.9(6) . . ?
C7 N1 Cu1 110.6(5) . . ?
C1 N1 Cu1 126.8(5) . . ?
C9 N2 C8 119.4(6) . . ?
C9 N2 Cu1 128.2(4) . . ?
C8 N2 Cu1 112.0(4) . . ?
C31 N3 C25 122.5(6) . . ?
C31 N3 Cu2 113.2(4) . . ?
C25 N3 Cu2 124.0(4) . . ?
C32 N4 C33 117.8(5) . . ?
C32 N4 Cu2 114.1(4) . . ?
C33 N4 Cu2 127.8(4) . . ?
C49 N5 Cu1 175.4(5) . . ?
C52 N6 Cu2 175.7(6) . . ?
N7 C54 C55 166(3) . . ?
N7A C54A C55A 167(3) . . ?
C54A C55A H55D 109.5 . . ?
C54A C55A H55E 109.5 . . ?
H55D C55A H55E 109.5 . . ?
C54A C55A H55F 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
N8 C56 C57 174.4(18) . . ?
C56 C57 H57D 125.5 . . ?
C56 C57 H57E 104.6 . . ?
H57A C57 H57E 110.5 . . ?
H57C C57 H57E 113.2 . . ?
N8A C56A C57A 173(4) . . ?
C56A C57A H57D 109.6 . . ?
C56A C57A H57E 109.2 . . ?
H57D C57A H57E 109.5 . . ?
C56A C57A H57F 109.6 . . ?
H57D C57A H57F 109.5 . . ?
H57E C57A H57F 109.5 . . ?
S1 O1 H1 109.5 . . ?
S2 O6 H6A 109.5 . . ?
S2 O6A H6A1 109.5 . . ?
C13 P1 C19 103.9(3) . . ?
C13 P1 C9 102.1(3) . . ?
C19 P1 C9 100.9(3) . . ?
C13 P1 Cu2 118.6(2) . . ?
C19 P1 Cu2 109.3(2) . . ?
C9 P1 Cu2 119.8(2) . . ?
C37 P2 C43 103.6(3) . . ?
C37 P2 C33 100.2(3) . . ?
C43 P2 C33 102.6(3) . . ?
C37 P2 Cu1 120.0(2) . . ?
C43 P2 Cu1 108.55(19) . . ?
C33 P2 Cu1 119.6(2) . . ?
O2 S1 O4 115.0(4) . . ?
O2 S1 O3 108.8(4) . . ?
O4 S1 O3 110.8(4) . . ?
O2 S1 O1 107.6(4) . . ?
O4 S1 O1 108.5(4) . . ?
O3 S1 O1 105.7(4) . . ?
O5A S2 O7 124.2(9) . . ?
O5A S2 O8 85.0(9) . . ?
O7 S2 O8 120.4(10) . . ?
O5A S2 O6 90.0(9) . . ?
O7 S2 O6 119.3(13) . . ?
O8 S2 O6 109.9(13) . . ?
O5A S2 O7A 112.3(9) . . ?
O7 S2 O7A 101.7(9) . . ?
O6 S2 O7A 109.0(10) . . ?
O5A S2 O5 45.3(7) . . ?
O7 S2 O5 79.8(9) . . ?
O8 S2 O5 117.4(9) . . ?
O6 S2 O5 106.0(9) . . ?
O7A S2 O5 138.2(8) . . ?
O5A S2 O8A 148.3(9) . . ?
O7A S2 O8A 85.0(9) . . ?
O5 S2 O8A 104.0(9) . . ?
O5A S2 O6A 107.9(9) . . ?
O7 S2 O6A 109.4(10) . . ?
O8 S2 O6A 107.1(11) . . ?
O7A S2 O6A 98.2(10) . . ?
O5 S2 O6A 121.0(9) . . ?
O8A S2 O6A 94.9(10) . . ?
N5 Cu1 N2 112.9(2) . . ?
N5 Cu1 N1 106.1(2) . . ?
N2 Cu1 N1 79.4(2) . . ?
N5 Cu1 P2 127.07(17) . . ?
N2 Cu1 P2 114.47(15) . . ?
N1 Cu1 P2 104.48(15) . . ?
N6 Cu2 N4 110.3(2) . . ?
N6 Cu2 N3 104.8(2) . . ?
N4 Cu2 N3 78.5(2) . . ?
N6 Cu2 P1 132.28(17) . . ?
N4 Cu2 P1 112.90(16) . . ?
N3 Cu2 P1 102.58(16) . . ?
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
C1 C2 1.374(11) . ?
C1 C6 1.392(10) . ?
C1 N1 1.422(9) . ?
C2 C3 1.388(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.365(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.367(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.406(11) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 N1 1.266(9) . ?
C7 C8 1.449(10) . ?
C7 H7 0.9500 . ?
C8 N2 1.355(8) . ?
C8 C12 1.382(10) . ?
C9 N2 1.324(8) . ?
C9 C10 1.410(9) . ?
C9 P1 1.847(7) . ?
C10 C11 1.401(10) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(11) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.393(10) . ?
C13 C14 1.429(9) . ?
C13 P1 1.834(6) . ?
C14 C15 1.426(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.391(12) . ?
C15 H15 0.9500 . ?
C16 C17 1.380(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(10) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.381(9) . ?
C19 C24 1.387(9) . ?
C19 P1 1.835(7) . ?
C20 C21 1.388(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.385(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.371(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(10) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.371(10) . ?
C25 C30 1.380(10) . ?
C25 N3 1.447(8) . ?
C26 C27 1.405(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.418(11) . ?
C27 H27 0.9500 . ?
C28 C29 1.402(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.443(11) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 N3 1.255(9) . ?
C31 C32 1.478(9) . ?
C31 H31 0.9500 . ?
C32 N4 1.347(8) . ?
C32 C36 1.379(9) . ?
C33 N4 1.350(8) . ?
C33 C34 1.374(9) . ?
C33 P2 1.846(6) . ?
C34 C35 1.375(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.389(10) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.380(9) . ?
C37 C42 1.381(8) . ?
C37 P2 1.814(6) . ?
C38 C39 1.396(10) . ?
C38 H38 0.9500 . ?
C39 C40 1.428(11) . ?
C39 H39 0.9500 . ?
C40 C41 1.368(11) . ?
C40 H40 0.9500 . ?
C41 C42 1.353(9) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.397(9) . ?
C43 C48 1.398(9) . ?
C43 P2 1.827(6) . ?
C44 C45 1.356(10) . ?
C44 H44 0.9500 . ?
C45 C46 1.380(12) . ?
C45 H45 0.9500 . ?
C46 C47 1.363(11) . ?
C46 H46 0.9500 . ?
C47 C48 1.394(10) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 N5 1.163(9) . ?
C49 C51 1.443(10) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 N6 1.129(9) . ?
C52 C53 1.465(11) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
N1 Cu1 2.146(5) . ?
N2 Cu1 2.066(5) . ?
N3 Cu2 2.121(5) . ?
N4 Cu2 2.064(5) . ?
N5 Cu1 1.943(6) . ?
N6 Cu2 1.964(7) . ?
N7 C54 1.162(12) . ?
C54 C55 1.419(12) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
N7A C54A 1.162(12) . ?
C54A C55A 1.420(12) . ?
C55A H55D 0.9800 . ?
C55A H55E 0.9800 . ?
C55A H55F 0.9800 . ?
N8 C56 1.159(11) . ?
C56 C57 1.414(12) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
N8A C56A 1.156(12) . ?
C56A C57A 1.413(12) . ?
C57A H57D 0.9800 . ?
C57A H57E 0.9800 . ?
C57A H57F 0.9800 . ?
O1 S1 1.515(6) . ?
O1 H1 0.8400 . ?
O2 S1 1.415(6) . ?
O3 S1 1.512(6) . ?
O4 S1 1.435(6) . ?
O5 S2 1.518(15) . ?
O6 S2 1.47(2) . ?
O6 H6A 0.8400 . ?
O7 S2 1.391(19) . ?
O8 S2 1.399(18) . ?
O5A S2 1.365(15) . ?
O6A S2 1.58(2) . ?
O6A H6A1 0.8400 . ?
O7A S2 1.513(17) . ?
O8A S2 1.532(19) . ?
P1 Cu2 2.2012(19) . ?
P2 Cu1 2.2103(18) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 O3 0.84 1.82 2.628(9) 160.5 2_757
O1 H1 S1 0.84 2.83 3.517(7) 140.6 2_757
O6 H6A O4 0.84 2.05 2.69(2) 132.5 .
O6A H6A1 O4 0.84 1.94 2.70(2) 150.1 .
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
C6 C1 C2 C3 0.6(10) . . . . ?
N1 C1 C2 C3 -179.4(6) . . . . ?
C1 C2 C3 C4 -4.1(11) . . . . ?
C2 C3 C4 C5 10.5(11) . . . . ?
C3 C4 C5 C6 -13.9(12) . . . . ?
C2 C1 C6 C5 -3.6(11) . . . . ?
N1 C1 C6 C5 176.3(7) . . . . ?
C4 C5 C6 C1 10.5(13) . . . . ?
N1 C7 C8 N2 0.0(9) . . . . ?
N1 C7 C8 C12 -179.3(6) . . . . ?
N2 C9 C10 C11 1.6(10) . . . . ?
P1 C9 C10 C11 -176.1(5) . . . . ?
C9 C10 C11 C12 -1.6(10) . . . . ?
N2 C8 C12 C11 -2.0(10) . . . . ?
C7 C8 C12 C11 177.3(6) . . . . ?
C10 C11 C12 C8 1.8(11) . . . . ?
C18 C13 C14 C15 6.1(10) . . . . ?
P1 C13 C14 C15 -174.3(5) . . . . ?
C13 C14 C15 C16 -4.6(11) . . . . ?
C14 C15 C16 C17 0.9(12) . . . . ?
C15 C16 C17 C18 1.6(13) . . . . ?
C16 C17 C18 C13 -0.2(12) . . . . ?
C14 C13 C18 C17 -3.8(10) . . . . ?
P1 C13 C18 C17 176.6(6) . . . . ?
C24 C19 C20 C21 1.4(11) . . . . ?
P1 C19 C20 C21 176.6(6) . . . . ?
C19 C20 C21 C22 1.7(13) . . . . ?
C20 C21 C22 C23 -1.8(14) . . . . ?
C21 C22 C23 C24 -1.2(13) . . . . ?
C22 C23 C24 C19 4.3(12) . . . . ?
C20 C19 C24 C23 -4.4(11) . . . . ?
P1 C19 C24 C23 -180.0(6) . . . . ?
C30 C25 C26 C27 -1.3(11) . . . . ?
N3 C25 C26 C27 -178.0(6) . . . . ?
C25 C26 C27 C28 -0.6(11) . . . . ?
C26 C27 C28 C29 3.9(10) . . . . ?
C27 C28 C29 C30 -5.2(10) . . . . ?
C26 C25 C30 C29 -0.1(11) . . . . ?
N3 C25 C30 C29 176.4(6) . . . . ?
C28 C29 C30 C25 3.5(11) . . . . ?
N3 C31 C32 N4 -2.5(9) . . . . ?
N3 C31 C32 C36 177.5(7) . . . . ?
N4 C33 C34 C35 2.5(11) . . . . ?
P2 C33 C34 C35 -169.8(6) . . . . ?
C33 C34 C35 C36 0.7(11) . . . . ?
N4 C32 C36 C35 1.4(11) . . . . ?
C31 C32 C36 C35 -178.6(7) . . . . ?
C34 C35 C36 C32 -2.6(11) . . . . ?
C42 C37 C38 C39 -4.6(10) . . . . ?
P2 C37 C38 C39 174.3(6) . . . . ?
C37 C38 C39 C40 1.2(11) . . . . ?
C38 C39 C40 C41 1.2(11) . . . . ?
C39 C40 C41 C42 0.1(11) . . . . ?
C40 C41 C42 C37 -4.0(10) . . . . ?
C38 C37 C42 C41 6.2(9) . . . . ?
P2 C37 C42 C41 -172.6(5) . . . . ?
C48 C43 C44 C45 0.1(10) . . . . ?
P2 C43 C44 C45 171.5(6) . . . . ?
C43 C44 C45 C46 0.8(11) . . . . ?
C44 C45 C46 C47 -0.7(12) . . . . ?
C45 C46 C47 C48 -0.4(12) . . . . ?
C46 C47 C48 C43 1.3(11) . . . . ?
C44 C43 C48 C47 -1.1(10) . . . . ?
P2 C43 C48 C47 -173.1(5) . . . . ?
C8 C7 N1 C1 -179.9(5) . . . . ?
C8 C7 N1 Cu1 -8.5(7) . . . . ?
C2 C1 N1 C7 -162.9(6) . . . . ?
C6 C1 N1 C7 17.2(10) . . . . ?
C2 C1 N1 Cu1 27.2(8) . . . . ?
C6 C1 N1 Cu1 -152.8(6) . . . . ?
C10 C9 N2 C8 -1.8(9) . . . . ?
P1 C9 N2 C8 176.1(4) . . . . ?
C10 C9 N2 Cu1 170.8(4) . . . . ?
P1 C9 N2 Cu1 -11.3(7) . . . . ?
C12 C8 N2 C9 1.9(9) . . . . ?
C7 C8 N2 C9 -177.4(5) . . . . ?
C12 C8 N2 Cu1 -171.8(5) . . . . ?
C7 C8 N2 Cu1 8.9(7) . . . . ?
C32 C31 N3 C25 -178.1(6) . . . . ?
C32 C31 N3 Cu2 -3.9(8) . . . . ?
C26 C25 N3 C31 -151.5(7) . . . . ?
C30 C25 N3 C31 31.9(10) . . . . ?
C26 C25 N3 Cu2 35.0(8) . . . . ?
C30 C25 N3 Cu2 -141.6(6) . . . . ?
C36 C32 N4 C33 1.7(10) . . . . ?
C31 C32 N4 C33 -178.3(6) . . . . ?
C36 C32 N4 Cu2 -172.3(5) . . . . ?
C31 C32 N4 Cu2 7.7(7) . . . . ?
C34 C33 N4 C32 -3.7(9) . . . . ?
P2 C33 N4 C32 169.5(5) . . . . ?
C34 C33 N4 Cu2 169.4(5) . . . . ?
P2 C33 N4 Cu2 -17.4(7) . . . . ?
C18 C13 P1 C19 -111.7(5) . . . . ?
C14 C13 P1 C19 68.7(5) . . . . ?
C18 C13 P1 C9 143.7(5) . . . . ?
C14 C13 P1 C9 -35.9(6) . . . . ?
C18 C13 P1 Cu2 9.7(6) . . . . ?
C14 C13 P1 Cu2 -169.9(4) . . . . ?
C20 C19 P1 C13 17.3(7) . . . . ?
C24 C19 P1 C13 -167.3(5) . . . . ?
C20 C19 P1 C9 122.8(6) . . . . ?
C24 C19 P1 C9 -61.8(6) . . . . ?
C20 C19 P1 Cu2 -110.1(6) . . . . ?
C24 C19 P1 Cu2 65.3(5) . . . . ?
N2 C9 P1 C13 -95.5(5) . . . . ?
C10 C9 P1 C13 82.4(6) . . . . ?
N2 C9 P1 C19 157.6(5) . . . . ?
C10 C9 P1 C19 -24.5(6) . . . . ?
N2 C9 P1 Cu2 37.8(5) . . . . ?
C10 C9 P1 Cu2 -144.3(5) . . . . ?
C38 C37 P2 C43 -99.2(5) . . . . ?
C42 C37 P2 C43 79.7(5) . . . . ?
C38 C37 P2 C33 155.1(5) . . . . ?
C42 C37 P2 C33 -26.1(6) . . . . ?
C38 C37 P2 Cu1 22.0(6) . . . . ?
C42 C37 P2 Cu1 -159.2(4) . . . . ?
C44 C43 P2 C37 17.5(6) . . . . ?
C48 C43 P2 C37 -171.0(5) . . . . ?
C44 C43 P2 C33 121.4(6) . . . . ?
C48 C43 P2 C33 -67.1(5) . . . . ?
C44 C43 P2 Cu1 -111.1(5) . . . . ?
C48 C43 P2 Cu1 60.4(5) . . . . ?
N4 C33 P2 C37 -86.6(5) . . . . ?
C34 C33 P2 C37 86.3(6) . . . . ?
N4 C33 P2 C43 166.9(4) . . . . ?
C34 C33 P2 C43 -20.3(7) . . . . ?
N4 C33 P2 Cu1 46.7(5) . . . . ?
C34 C33 P2 Cu1 -140.4(5) . . . . ?
C9 N2 Cu1 N5 73.8(5) . . . . ?
C8 N2 Cu1 N5 -113.1(4) . . . . ?
C9 N2 Cu1 N1 177.0(5) . . . . ?
C8 N2 Cu1 N1 -9.9(4) . . . . ?
C9 N2 Cu1 P2 -81.8(5) . . . . ?
C8 N2 Cu1 P2 91.3(4) . . . . ?
C7 N1 Cu1 N5 120.9(5) . . . . ?
C1 N1 Cu1 N5 -68.2(5) . . . . ?
C7 N1 Cu1 N2 10.0(4) . . . . ?
C1 N1 Cu1 N2 -179.1(5) . . . . ?
C7 N1 Cu1 P2 -102.8(4) . . . . ?
C1 N1 Cu1 P2 68.1(5) . . . . ?
C37 P2 Cu1 N5 16.0(3) . . . . ?
C43 P2 Cu1 N5 134.7(3) . . . . ?
C33 P2 Cu1 N5 -108.2(3) . . . . ?
C37 P2 Cu1 N2 167.6(3) . . . . ?
C43 P2 Cu1 N2 -73.7(3) . . . . ?
C33 P2 Cu1 N2 43.3(3) . . . . ?
C37 P2 Cu1 N1 -107.7(3) . . . . ?
C43 P2 Cu1 N1 11.0(3) . . . . ?
C33 P2 Cu1 N1 128.1(3) . . . . ?
C32 N4 Cu2 N6 -109.2(5) . . . . ?
C33 N4 Cu2 N6 77.5(6) . . . . ?
C32 N4 Cu2 N3 -7.4(4) . . . . ?
C33 N4 Cu2 N3 179.3(6) . . . . ?
C32 N4 Cu2 P1 91.6(4) . . . . ?
C33 N4 Cu2 P1 -81.8(5) . . . . ?
C31 N3 Cu2 N6 114.3(5) . . . . ?
C25 N3 Cu2 N6 -71.6(5) . . . . ?
C31 N3 Cu2 N4 6.1(5) . . . . ?
C25 N3 Cu2 N4 -179.9(5) . . . . ?
C31 N3 Cu2 P1 -105.1(5) . . . . ?
C25 N3 Cu2 P1 68.9(5) . . . . ?
C13 P1 Cu2 N6 23.7(3) . . . . ?
C19 P1 Cu2 N6 142.3(3) . . . . ?
C9 P1 Cu2 N6 -102.2(3) . . . . ?
C13 P1 Cu2 N4 177.0(3) . . . . ?
C19 P1 Cu2 N4 -64.3(3) . . . . ?
C9 P1 Cu2 N4 51.2(3) . . . . ?
C13 P1 Cu2 N3 -100.3(3) . . . . ?
C19 P1 Cu2 N3 18.4(3) . . . . ?
C9 P1 Cu2 N3 133.9(3) . . . . ?
