#------------------------------------------------------------------------------
#$Date: 2018-08-11 18:46:54 +0300 (Sat, 11 Aug 2018) $
#$Revision: 209577 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/08/7000816.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_7000816
loop_
_publ_author_name
'Kou, Yingying'
'Tian, Jinlei'
'Li, Dongdong'
'Gu, Wen'
'Liu, Xin'
'Yan, Shiping'
'Liao, Daizheng'
'Cheng, Peng'
_publ_section_title
;
 Synthesis, structure, magnetic properties and DNA cleavage of
 binuclear Cu(II) Schiff-base complexes
;
_journal_coden_ASTM              DTARAF
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2374
_journal_page_last               2382
_journal_paper_doi               10.1039/b819052f
_journal_year                    2009
_chemical_formula_moiety         'C51 H64 Cu2 N7 O11 P'
_chemical_formula_sum            'C51 H64 Cu2 N7 O11 P'
_chemical_formula_weight         1109.14
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                102.90(3)
_cell_angle_beta                 107.26(3)
_cell_angle_gamma                92.94(3)
_cell_formula_units_Z            2
_cell_length_a                   10.718(2)
_cell_length_b                   15.912(3)
_cell_length_c                   17.567(4)
_cell_measurement_reflns_used    7341
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.964
_cell_measurement_theta_min      1.579
_cell_volume                     2766.5(12)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0968
_diffrn_reflns_av_sigmaI/netI    0.1587
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16379
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.860
_exptl_absorpt_correction_T_max  0.9344
_exptl_absorpt_correction_T_min  0.9039
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.483
_refine_diff_density_min         -1.938
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     664
_refine_ls_number_reflns         9614
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0843
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0800P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1887
_refine_ls_wR_factor_ref         0.2115
_reflns_number_gt                6124
_reflns_number_total             9614
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B819052f.txt
_cod_data_source_block           r80124a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to
'constr' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2766.5(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000816
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
Cu1 Cu 0.10294(6) -0.08318(4) 0.24001(4) 0.0210(2) Uani 1 1 d . . .
Cu2 Cu -0.00360(6) 0.06717(4) 0.39227(4) 0.0206(2) Uani 1 1 d . . .
P1 P 0.23418(14) 0.11369(9) 0.33221(8) 0.0231(3) Uani 1 1 d . . .
O1 O 0.1940(3) -0.1274(2) 0.1634(2) 0.0249(8) Uani 1 1 d . . .
O2 O 0.0094(3) -0.0425(2) 0.3199(2) 0.0223(8) Uani 1 1 d . . .
O3 O -0.0330(3) 0.1749(2) 0.4531(2) 0.0221(8) Uani 1 1 d . . .
O4 O 0.2177(4) 0.0268(2) 0.2727(2) 0.0260(9) Uani 1 1 d . . .
O5 O 0.1590(3) 0.1287(2) 0.3921(2) 0.0278(9) Uani 1 1 d . . .
O6 O 0.3859(4) 0.1384(2) 0.3889(2) 0.0282(9) Uani 1 1 d . . .
O7 O 0.2114(4) 0.1887(2) 0.2831(2) 0.0298(9) Uani 1 1 d . . .
O8 O 0.0915(4) 0.0638(2) -0.1004(2) 0.0379(10) Uani 1 1 d . . .
O9 O 0.2579(4) 0.1625(3) -0.0720(2) 0.0459(12) Uani 1 1 d . . .
O10 O 0.8483(4) 0.1057(3) 0.2386(3) 0.0482(12) Uani 1 1 d . . .
O11 O 0.8408(4) 0.2454(3) 0.2590(3) 0.0471(12) Uani 1 1 d . . .
N1 N -0.0053(4) -0.1919(3) 0.2135(2) 0.0225(10) Uani 1 1 d . . .
N2 N -0.1415(4) 0.0018(3) 0.4133(2) 0.0206(10) Uani 1 1 d . . .
N3 N 0.1768(5) 0.1228(3) -0.0520(3) 0.0309(11) Uani 1 1 d . . .
N4 N 0.8008(5) 0.1723(3) 0.2607(3) 0.0328(12) Uani 1 1 d . . .
N5 N 0.6401(6) 0.4652(4) 0.4620(3) 0.0498(15) Uani 1 1 d . . .
N6 N 0.4804(7) 0.3888(4) 0.1173(4) 0.070(2) Uani 1 1 d . . .
N7 N 0.6480(7) 0.6288(4) 0.1795(4) 0.071(2) Uani 1 1 d . . .
C1 C 0.1508(5) -0.1955(3) 0.0997(3) 0.0233(12) Uani 1 1 d . . .
C2 C 0.2151(5) -0.2092(3) 0.0359(3) 0.0214(11) Uani 1 1 d . . .
C3 C 0.1654(5) -0.2790(3) -0.0317(3) 0.0249(12) Uani 1 1 d . . .
H3 H 0.2054 -0.2859 -0.0726 0.030 Uiso 1 1 calc R . .
C4 C 0.0566(5) -0.3412(3) -0.0431(3) 0.0215(12) Uani 1 1 d . . .
C5 C -0.0015(5) -0.3296(3) 0.0174(3) 0.0229(12) Uani 1 1 d . . .
H5 H -0.0719 -0.3696 0.0119 0.028 Uiso 1 1 calc R . .
C6 C 0.0424(5) -0.2580(3) 0.0888(3) 0.0196(11) Uani 1 1 d . . .
C7 C 0.0089(6) -0.4177(3) -0.1210(3) 0.0262(12) Uani 1 1 d . . .
C8 C -0.1119(6) -0.4748(4) -0.1220(4) 0.0430(16) Uani 1 1 d . . .
H8A H -0.0893 -0.4989 -0.0749 0.065 Uiso 1 1 calc R . .
H8B H -0.1397 -0.5210 -0.1713 0.065 Uiso 1 1 calc R . .
H8C H -0.1822 -0.4401 -0.1202 0.065 Uiso 1 1 calc R . .
C9 C 0.1198(6) -0.4740(3) -0.1226(3) 0.0338(14) Uani 1 1 d . . .
H9A H 0.1945 -0.4400 -0.1251 0.051 Uiso 1 1 calc R . .
H9B H 0.0902 -0.5225 -0.1701 0.051 Uiso 1 1 calc R . .
H9C H 0.1446 -0.4948 -0.0736 0.051 Uiso 1 1 calc R . .
C10 C -0.0307(6) -0.3822(4) -0.1997(3) 0.0375(15) Uani 1 1 d . . .
H10A H -0.1024 -0.3486 -0.1991 0.056 Uiso 1 1 calc R . .
H10B H -0.0575 -0.4300 -0.2478 0.056 Uiso 1 1 calc R . .
H10C H 0.0433 -0.3463 -0.2006 0.056 Uiso 1 1 calc R . .
C11 C 0.3356(5) -0.1452(3) 0.0449(3) 0.0258(12) Uani 1 1 d . . .
C12 C 0.3906(6) -0.1697(4) -0.0270(3) 0.0341(14) Uani 1 1 d . . .
H12A H 0.4096 -0.2287 -0.0338 0.051 Uiso 1 1 calc R . .
H12B H 0.4700 -0.1318 -0.0159 0.051 Uiso 1 1 calc R . .
H12C H 0.3269 -0.1640 -0.0765 0.051 Uiso 1 1 calc R . .
C13 C 0.4499(5) -0.1468(4) 0.1256(3) 0.0287(13) Uani 1 1 d . . .
H13A H 0.4770 -0.2038 0.1205 0.043 Uiso 1 1 calc R . .
H13B H 0.4188 -0.1322 0.1722 0.043 Uiso 1 1 calc R . .
H13C H 0.5234 -0.1052 0.1330 0.043 Uiso 1 1 calc R . .
C14 C 0.3018(6) -0.0511(3) 0.0505(4) 0.0335(14) Uani 1 1 d . . .
H14A H 0.3791 -0.0133 0.0572 0.050 Uiso 1 1 calc R . .
H14B H 0.2709 -0.0324 0.0968 0.050 Uiso 1 1 calc R . .
H14C H 0.2343 -0.0492 0.0010 0.050 Uiso 1 1 calc R . .
C15 C -0.0258(5) -0.2548(3) 0.1483(3) 0.0224(12) Uani 1 1 d . . .
H15 H -0.0893 -0.3012 0.1393 0.027 Uiso 1 1 calc R . .
C16 C -0.0811(5) -0.1937(3) 0.2706(3) 0.0269(13) Uani 1 1 d . . .
H16A H -0.0308 -0.2140 0.3173 0.032 Uiso 1 1 calc R . .
H16B H -0.1629 -0.2323 0.2430 0.032 Uiso 1 1 calc R . .
C17 C -0.1088(5) -0.1024(3) 0.2988(3) 0.0228(12) Uani 1 1 d . . .
H17 H -0.1774 -0.0883 0.2541 0.027 Uiso 1 1 calc R . .
C18 C -0.1543(5) -0.0907(3) 0.3747(3) 0.0223(11) Uani 1 1 d . . .
H18A H -0.2454 -0.1161 0.3588 0.027 Uiso 1 1 calc R . .
H18B H -0.1010 -0.1200 0.4133 0.027 Uiso 1 1 calc R . .
C19 C -0.2119(5) 0.0326(3) 0.4585(3) 0.0223(12) Uani 1 1 d . . .
H19 H -0.2733 -0.0070 0.4642 0.027 Uiso 1 1 calc R . .
C20 C -0.2052(5) 0.1226(3) 0.5013(3) 0.0202(11) Uani 1 1 d . . .
C21 C -0.1122(5) 0.1897(3) 0.4990(3) 0.0210(11) Uani 1 1 d . . .
C22 C -0.1072(5) 0.2765(3) 0.5478(3) 0.0202(11) Uani 1 1 d . . .
C23 C -0.1968(5) 0.2910(3) 0.5904(3) 0.0216(11) Uani 1 1 d . . .
H23 H -0.1936 0.3473 0.6211 0.026 Uiso 1 1 calc R . .
C24 C -0.2931(5) 0.2270(3) 0.5909(3) 0.0205(11) Uani 1 1 d . . .
C25 C -0.2928(5) 0.1422(3) 0.5474(3) 0.0220(12) Uani 1 1 d . . .
H25 H -0.3513 0.0977 0.5488 0.026 Uiso 1 1 calc R . .
C26 C -0.3921(5) 0.2516(3) 0.6383(3) 0.0262(12) Uani 1 1 d . . .
C27 C -0.4808(7) 0.3120(5) 0.5969(4) 0.0509(18) Uani 1 1 d . . .
H27A H -0.4271 0.3597 0.5923 0.076 Uiso 1 1 calc R . .
H27B H -0.5354 0.3340 0.6294 0.076 Uiso 1 1 calc R . .
H27C H -0.5353 0.2803 0.5430 0.076 Uiso 1 1 calc R . .
C28 C -0.3167(6) 0.2983(4) 0.7292(3) 0.0365(15) Uani 1 1 d . . .
H28A H -0.2670 0.2585 0.7557 0.055 Uiso 1 1 calc R . .
H28B H -0.3784 0.3184 0.7570 0.055 Uiso 1 1 calc R . .
H28C H -0.2579 0.3469 0.7312 0.055 Uiso 1 1 calc R . .
C29 C -0.4758(7) 0.1712(4) 0.6399(4) 0.052(2) Uani 1 1 d . . .
H29A H -0.5265 0.1409 0.5846 0.078 Uiso 1 1 calc R . .
H29B H -0.5341 0.1890 0.6710 0.078 Uiso 1 1 calc R . .
H29C H -0.4192 0.1334 0.6650 0.078 Uiso 1 1 calc R . .
C30 C 0.0012(5) 0.3490(3) 0.5543(3) 0.0212(11) Uani 1 1 d . . .
C31 C -0.0022(6) 0.4336(3) 0.6173(3) 0.0302(13) Uani 1 1 d . . .
H31A H 0.0658 0.4772 0.6206 0.045 Uiso 1 1 calc R . .
H31B H 0.0120 0.4222 0.6704 0.045 Uiso 1 1 calc R . .
H31C H -0.0864 0.4538 0.5999 0.045 Uiso 1 1 calc R . .
C32 C 0.1402(5) 0.3220(3) 0.5818(3) 0.0280(13) Uani 1 1 d . . .
H32A H 0.1462 0.2709 0.5426 0.042 Uiso 1 1 calc R . .
H32B H 0.1570 0.3099 0.6348 0.042 Uiso 1 1 calc R . .
H32C H 0.2041 0.3684 0.5851 0.042 Uiso 1 1 calc R . .
C33 C -0.0249(5) 0.3726(3) 0.4693(3) 0.0260(12) Uani 1 1 d . . .
H33A H -0.0245 0.3219 0.4279 0.039 Uiso 1 1 calc R . .
H33B H 0.0428 0.4170 0.4736 0.039 Uiso 1 1 calc R . .
H33C H -0.1091 0.3935 0.4544 0.039 Uiso 1 1 calc R . .
C34 C 0.1995(5) 0.1745(3) 0.1980(3) 0.0252(12) Uani 1 1 d . . .
C35 C 0.0850(5) 0.1280(3) 0.1386(3) 0.0268(12) Uani 1 1 d . . .
H35 H 0.0156 0.1079 0.1541 0.032 Uiso 1 1 calc R . .
C36 C 0.0756(5) 0.1121(3) 0.0554(3) 0.0257(12) Uani 1 1 d . . .
H36 H 0.0015 0.0800 0.0144 0.031 Uiso 1 1 calc R . .
C37 C 0.1817(6) 0.1461(3) 0.0364(3) 0.0289(13) Uani 1 1 d . . .
C38 C 0.2923(5) 0.1964(3) 0.0939(3) 0.0286(13) Uani 1 1 d . . .
H38 H 0.3587 0.2204 0.0781 0.034 Uiso 1 1 calc R . .
C39 C 0.3014(5) 0.2103(3) 0.1774(3) 0.0275(13) Uani 1 1 d . . .
H39 H 0.3749 0.2432 0.2183 0.033 Uiso 1 1 calc R . .
C40 C 0.4876(5) 0.1460(3) 0.3545(3) 0.0233(12) Uani 1 1 d . . .
C41 C 0.5129(5) 0.0736(3) 0.3031(3) 0.0271(12) Uani 1 1 d . . .
H41 H 0.4616 0.0202 0.2899 0.032 Uiso 1 1 calc R . .
C42 C 0.6160(5) 0.0825(4) 0.2719(3) 0.0271(12) Uani 1 1 d . . .
H42 H 0.6352 0.0351 0.2374 0.032 Uiso 1 1 calc R . .
C43 C 0.6896(5) 0.1625(4) 0.2929(3) 0.0268(13) Uani 1 1 d . . .
C44 C 0.6629(5) 0.2355(4) 0.3431(3) 0.0268(12) Uani 1 1 d . . .
H44 H 0.7123 0.2892 0.3547 0.032 Uiso 1 1 calc R . .
C45 C 0.5617(5) 0.2267(3) 0.3756(3) 0.0251(12) Uani 1 1 d . . .
H45 H 0.5435 0.2739 0.4109 0.030 Uiso 1 1 calc R . .
C46 C 0.6679(6) 0.5269(5) 0.5135(4) 0.0437(17) Uani 1 1 d . . .
C47 C 0.7032(7) 0.6073(4) 0.5831(4) 0.0500(18) Uani 1 1 d . . .
H47A H 0.7448 0.6531 0.5682 0.075 Uiso 1 1 calc R . .
H47B H 0.7625 0.5953 0.6313 0.075 Uiso 1 1 calc R . .
H47C H 0.6247 0.6247 0.5944 0.075 Uiso 1 1 calc R . .
C48 C 0.5572(8) 0.4135(4) 0.1812(5) 0.0529(19) Uani 1 1 d . . .
C49 C 0.6600(8) 0.4457(5) 0.2607(4) 0.064(2) Uani 1 1 d . . .
H49A H 0.7255 0.4066 0.2663 0.096 Uiso 1 1 calc R . .
H49B H 0.6218 0.4494 0.3042 0.096 Uiso 1 1 calc R . .
H49C H 0.7001 0.5023 0.2639 0.096 Uiso 1 1 calc R . .
C50 C 0.5475(7) 0.6117(4) 0.1272(5) 0.0494(18) Uani 1 1 d . . .
C51 C 0.4195(7) 0.5887(4) 0.0618(4) 0.056(2) Uani 1 1 d . . .
H51A H 0.4271 0.6040 0.0133 0.085 Uiso 1 1 calc R . .
H51B H 0.3549 0.6198 0.0800 0.085 Uiso 1 1 calc R . .
H51C H 0.3929 0.5273 0.0493 0.085 Uiso 1 1 calc R . .
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'
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
N1 Cu1 O1 92.57(16) . . ?
N1 Cu1 O4 177.03(16) . . ?
O1 Cu1 O4 88.56(15) . . ?
N1 Cu1 O2 85.56(16) . . ?
O1 Cu1 O2 177.62(14) . . ?
O4 Cu1 O2 93.23(14) . . ?
O3 Cu2 N2 93.12(16) . . ?
O3 Cu2 O2 173.65(14) . . ?
N2 Cu2 O2 85.55(16) . . ?
O3 Cu2 O5 86.88(15) . . ?
N2 Cu2 O5 168.14(17) . . ?
O2 Cu2 O5 95.69(15) . . ?
O5 P1 O4 121.1(2) . . ?
O5 P1 O6 104.2(2) . . ?
O4 P1 O6 109.3(2) . . ?
O5 P1 O7 107.9(2) . . ?
O4 P1 O7 109.9(2) . . ?
O6 P1 O7 103.0(2) . . ?
C1 O1 Cu1 126.1(3) . . ?
C17 O2 Cu2 110.2(3) . . ?
C17 O2 Cu1 108.3(3) . . ?
Cu2 O2 Cu1 137.74(17) . . ?
C21 O3 Cu2 129.0(3) . . ?
P1 O4 Cu1 136.8(2) . . ?
P1 O5 Cu2 131.4(2) . . ?
C40 O6 P1 121.5(3) . . ?
C34 O7 P1 123.5(3) . . ?
C15 N1 C16 120.9(4) . . ?
C15 N1 Cu1 126.3(4) . . ?
C16 N1 Cu1 112.3(3) . . ?
C19 N2 C18 122.0(4) . . ?
C19 N2 Cu2 126.1(4) . . ?
C18 N2 Cu2 111.9(3) . . ?
O9 N3 O8 123.9(5) . . ?
O9 N3 C37 118.3(4) . . ?
O8 N3 C37 117.8(5) . . ?
O11 N4 O10 124.5(5) . . ?
O11 N4 C43 118.6(5) . . ?
O10 N4 C43 116.9(5) . . ?
O1 C1 C6 123.3(5) . . ?
O1 C1 C2 119.6(4) . . ?
C6 C1 C2 117.1(4) . . ?
C3 C2 C1 118.7(5) . . ?
C3 C2 C11 121.5(5) . . ?
C1 C2 C11 119.8(4) . . ?
C2 C3 C4 124.4(5) . . ?
C2 C3 H3 117.8 . . ?
C4 C3 H3 117.8 . . ?
C5 C4 C3 117.0(5) . . ?
C5 C4 C7 122.6(4) . . ?
C3 C4 C7 120.4(5) . . ?
C4 C5 C6 122.2(5) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C1 C6 C5 120.6(5) . . ?
C1 C6 C15 123.1(5) . . ?
C5 C6 C15 116.4(4) . . ?
C9 C7 C8 108.5(5) . . ?
C9 C7 C4 108.9(4) . . ?
C8 C7 C4 111.6(4) . . ?
C9 C7 C10 110.0(5) . . ?
C8 C7 C10 107.8(5) . . ?
C4 C7 C10 110.0(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C14 107.1(4) . . ?
C12 C11 C2 112.7(4) . . ?
C14 C11 C2 112.0(4) . . ?
C12 C11 C13 106.9(5) . . ?
C14 C11 C13 108.9(4) . . ?
C2 C11 C13 109.0(4) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 C6 124.6(5) . . ?
N1 C15 H15 117.7 . . ?
C6 C15 H15 117.7 . . ?
N1 C16 C17 106.9(4) . . ?
N1 C16 H16A 110.3 . . ?
C17 C16 H16A 110.3 . . ?
N1 C16 H16B 110.3 . . ?
C17 C16 H16B 110.3 . . ?
H16A C16 H16B 108.6 . . ?
O2 C17 C16 109.8(4) . . ?
O2 C17 C18 107.9(4) . . ?
C16 C17 C18 111.7(4) . . ?
O2 C17 H17 109.1 . . ?
C16 C17 H17 109.1 . . ?
C18 C17 H17 109.1 . . ?
N2 C18 C17 108.9(4) . . ?
N2 C18 H18A 109.9 . . ?
C17 C18 H18A 109.9 . . ?
N2 C18 H18B 109.9 . . ?
C17 C18 H18B 109.9 . . ?
H18A C18 H18B 108.3 . . ?
N2 C19 C20 126.7(4) . . ?
N2 C19 H19 116.7 . . ?
C20 C19 H19 116.7 . . ?
C25 C20 C21 120.8(5) . . ?
C25 C20 C19 117.2(4) . . ?
C21 C20 C19 122.0(5) . . ?
O3 C21 C20 122.6(5) . . ?
O3 C21 C22 119.4(4) . . ?
C20 C21 C22 118.0(5) . . ?
C23 C22 C21 117.9(4) . . ?
C23 C22 C30 122.2(5) . . ?
C21 C22 C30 119.8(5) . . ?
C22 C23 C24 125.2(5) . . ?
C22 C23 H23 117.4 . . ?
C24 C23 H23 117.4 . . ?
C25 C24 C23 116.7(5) . . ?
C25 C24 C26 122.7(4) . . ?
C23 C24 C26 120.6(5) . . ?
C24 C25 C20 121.2(4) . . ?
C24 C25 H25 119.4 . . ?
C20 C25 H25 119.4 . . ?
C27 C26 C29 110.3(5) . . ?
C27 C26 C24 108.2(5) . . ?
C29 C26 C24 111.9(4) . . ?
C27 C26 C28 110.2(5) . . ?
C29 C26 C28 106.5(5) . . ?
C24 C26 C28 109.8(4) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C32 C30 C31 107.7(4) . . ?
C32 C30 C22 112.0(4) . . ?
C31 C30 C22 110.9(4) . . ?
C32 C30 C33 109.8(4) . . ?
C31 C30 C33 106.3(4) . . ?
C22 C30 C33 109.9(4) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C39 C34 C35 122.2(5) . . ?
C39 C34 O7 118.2(4) . . ?
C35 C34 O7 119.6(5) . . ?
C34 C35 C36 119.2(5) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C37 C36 C35 117.4(5) . . ?
C37 C36 H36 121.3 . . ?
C35 C36 H36 121.3 . . ?
C38 C37 C36 124.2(5) . . ?
C38 C37 N3 118.4(5) . . ?
C36 C37 N3 117.4(5) . . ?
C37 C38 C39 117.7(5) . . ?
C37 C38 H38 121.2 . . ?
C39 C38 H38 121.2 . . ?
C34 C39 C38 119.2(5) . . ?
C34 C39 H39 120.4 . . ?
C38 C39 H39 120.4 . . ?
C45 C40 C41 122.4(5) . . ?
C45 C40 O6 117.7(5) . . ?
C41 C40 O6 119.9(5) . . ?
C42 C41 C40 118.6(5) . . ?
C42 C41 H41 120.7 . . ?
C40 C41 H41 120.7 . . ?
C43 C42 C41 119.0(5) . . ?
C43 C42 H42 120.5 . . ?
C41 C42 H42 120.5 . . ?
C42 C43 C44 122.4(5) . . ?
C42 C43 N4 119.4(5) . . ?
C44 C43 N4 118.2(5) . . ?
C45 C44 C43 118.8(5) . . ?
C45 C44 H44 120.6 . . ?
C43 C44 H44 120.6 . . ?
C44 C45 C40 118.7(5) . . ?
C44 C45 H45 120.7 . . ?
C40 C45 H45 120.7 . . ?
N5 C46 C47 178.3(7) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
N6 C48 C49 177.2(8) . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N7 C50 C51 178.9(8) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 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 1.915(4) . ?
Cu1 O1 1.920(4) . ?
Cu1 O4 1.954(3) . ?
Cu1 O2 1.973(4) . ?
Cu2 O3 1.901(4) . ?
Cu2 N2 1.934(4) . ?
Cu2 O2 1.954(4) . ?
Cu2 O5 1.956(3) . ?
P1 O5 1.491(4) . ?
P1 O4 1.502(4) . ?
P1 O6 1.609(4) . ?
P1 O7 1.610(4) . ?
O1 C1 1.320(6) . ?
O2 C17 1.445(6) . ?
O3 C21 1.329(6) . ?
O6 C40 1.406(6) . ?
O7 C34 1.427(6) . ?
O8 N3 1.238(6) . ?
O9 N3 1.226(6) . ?
O10 N4 1.234(6) . ?
O11 N4 1.229(6) . ?
N1 C15 1.296(6) . ?
N1 C16 1.471(6) . ?
N2 C19 1.289(7) . ?
N2 C18 1.457(6) . ?
N3 C37 1.498(7) . ?
N4 C43 1.477(7) . ?
N5 C46 1.134(8) . ?
N6 C48 1.146(9) . ?
N7 C50 1.161(8) . ?
C1 C6 1.428(7) . ?
C1 C2 1.464(7) . ?
C2 C3 1.378(7) . ?
C2 C11 1.550(7) . ?
C3 C4 1.426(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(7) . ?
C4 C7 1.548(7) . ?
C5 C6 1.433(7) . ?
C5 H5 0.9300 . ?
C6 C15 1.435(7) . ?
C7 C9 1.528(8) . ?
C7 C8 1.536(8) . ?
C7 C10 1.559(7) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.530(7) . ?
C11 C14 1.548(8) . ?
C11 C13 1.581(7) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15 0.9300 . ?
C16 C17 1.502(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.530(7) . ?
C17 H17 0.9800 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.448(7) . ?
C19 H19 0.9300 . ?
C20 C25 1.416(7) . ?
C20 C21 1.438(7) . ?
C21 C22 1.443(7) . ?
C22 C23 1.380(7) . ?
C22 C30 1.555(7) . ?
C23 C24 1.416(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.395(7) . ?
C24 C26 1.547(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.534(8) . ?
C26 C29 1.535(7) . ?
C26 C28 1.548(7) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C32 1.540(7) . ?
C30 C31 1.550(7) . ?
C30 C33 1.569(7) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C39 1.382(7) . ?
C34 C35 1.395(7) . ?
C35 C36 1.399(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.393(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.378(7) . ?
C38 C39 1.406(8) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C40 C45 1.387(7) . ?
C40 C41 1.389(8) . ?
C41 C42 1.386(7) . ?
C41 H41 0.9300 . ?
C42 C43 1.376(7) . ?
C42 H42 0.9300 . ?
C43 C44 1.392(8) . ?
C44 C45 1.382(8) . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C46 C47 1.500(9) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 C49 1.462(10) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 C51 1.471(9) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
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
N1 Cu1 O1 C1 21.3(4) . . . . ?
O4 Cu1 O1 C1 -161.4(4) . . . . ?
O2 Cu1 O1 C1 60(3) . . . . ?
O3 Cu2 O2 C17 -59.6(13) . . . . ?
N2 Cu2 O2 C17 18.6(3) . . . . ?
O5 Cu2 O2 C17 -173.3(3) . . . . ?
O3 Cu2 O2 Cu1 94.7(13) . . . . ?
N2 Cu2 O2 Cu1 172.9(3) . . . . ?
O5 Cu2 O2 Cu1 -18.9(3) . . . . ?
N1 Cu1 O2 C17 -16.8(3) . . . . ?
O1 Cu1 O2 C17 -55(3) . . . . ?
O4 Cu1 O2 C17 165.9(3) . . . . ?
N1 Cu1 O2 Cu2 -171.5(3) . . . . ?
O1 Cu1 O2 Cu2 150(3) . . . . ?
O4 Cu1 O2 Cu2 11.2(3) . . . . ?
N2 Cu2 O3 C21 6.7(4) . . . . ?
O2 Cu2 O3 C21 84.5(13) . . . . ?
O5 Cu2 O3 C21 -161.4(4) . . . . ?
O5 P1 O4 Cu1 7.2(5) . . . . ?
O6 P1 O4 Cu1 128.1(3) . . . . ?
O7 P1 O4 Cu1 -119.6(3) . . . . ?
N1 Cu1 O4 P1 -68(3) . . . . ?
O1 Cu1 O4 P1 179.6(4) . . . . ?
O2 Cu1 O4 P1 -2.0(4) . . . . ?
O4 P1 O5 Cu2 -21.0(4) . . . . ?
O6 P1 O5 Cu2 -144.3(3) . . . . ?
O7 P1 O5 Cu2 106.7(3) . . . . ?
O3 Cu2 O5 P1 -151.1(3) . . . . ?
N2 Cu2 O5 P1 118.6(8) . . . . ?
O2 Cu2 O5 P1 23.1(3) . . . . ?
O5 P1 O6 C40 -169.8(4) . . . . ?
O4 P1 O6 C40 59.5(4) . . . . ?
O7 P1 O6 C40 -57.2(4) . . . . ?
O5 P1 O7 C34 -143.5(4) . . . . ?
O4 P1 O7 C34 -9.5(5) . . . . ?
O6 P1 O7 C34 106.8(4) . . . . ?
O1 Cu1 N1 C15 -18.1(5) . . . . ?
O4 Cu1 N1 C15 -131(3) . . . . ?
O2 Cu1 N1 C15 163.4(5) . . . . ?
O1 Cu1 N1 C16 170.0(3) . . . . ?
O4 Cu1 N1 C16 57(3) . . . . ?
O2 Cu1 N1 C16 -8.6(3) . . . . ?
O3 Cu2 N2 C19 -3.3(4) . . . . ?
O2 Cu2 N2 C19 -177.1(5) . . . . ?
O5 Cu2 N2 C19 86.4(9) . . . . ?
O3 Cu2 N2 C18 179.8(3) . . . . ?
O2 Cu2 N2 C18 6.0(3) . . . . ?
O5 Cu2 N2 C18 -90.6(8) . . . . ?
Cu1 O1 C1 C6 -14.4(7) . . . . ?
Cu1 O1 C1 C2 165.4(4) . . . . ?
O1 C1 C2 C3 -177.6(5) . . . . ?
C6 C1 C2 C3 2.2(7) . . . . ?
O1 C1 C2 C11 1.7(7) . . . . ?
C6 C1 C2 C11 -178.5(4) . . . . ?
C1 C2 C3 C4 -2.0(8) . . . . ?
C11 C2 C3 C4 178.7(5) . . . . ?
C2 C3 C4 C5 0.5(8) . . . . ?
C2 C3 C4 C7 -179.6(5) . . . . ?
C3 C4 C5 C6 0.8(8) . . . . ?
C7 C4 C5 C6 -179.2(5) . . . . ?
O1 C1 C6 C5 178.7(5) . . . . ?
C2 C1 C6 C5 -1.1(7) . . . . ?
O1 C1 C6 C15 -3.1(8) . . . . ?
C2 C1 C6 C15 177.1(5) . . . . ?
C4 C5 C6 C1 -0.4(8) . . . . ?
C4 C5 C6 C15 -178.7(5) . . . . ?
C5 C4 C7 C9 -117.8(6) . . . . ?
C3 C4 C7 C9 62.2(6) . . . . ?
C5 C4 C7 C8 1.9(7) . . . . ?
C3 C4 C7 C8 -178.1(5) . . . . ?
C5 C4 C7 C10 121.5(6) . . . . ?
C3 C4 C7 C10 -58.4(7) . . . . ?
C3 C2 C11 C12 -1.1(7) . . . . ?
C1 C2 C11 C12 179.7(5) . . . . ?
C3 C2 C11 C14 119.8(5) . . . . ?
C1 C2 C11 C14 -59.5(6) . . . . ?
C3 C2 C11 C13 -119.6(5) . . . . ?
C1 C2 C11 C13 61.1(6) . . . . ?
C16 N1 C15 C6 179.3(5) . . . . ?
Cu1 N1 C15 C6 8.0(8) . . . . ?
C1 C6 C15 N1 6.6(8) . . . . ?
C5 C6 C15 N1 -175.1(5) . . . . ?
C15 N1 C16 C17 -141.5(5) . . . . ?
Cu1 N1 C16 C17 30.9(5) . . . . ?
Cu2 O2 C17 C16 -159.5(3) . . . . ?
Cu1 O2 C17 C16 38.4(4) . . . . ?
Cu2 O2 C17 C18 -37.5(5) . . . . ?
Cu1 O2 C17 C18 160.3(3) . . . . ?
N1 C16 C17 O2 -45.2(5) . . . . ?
N1 C16 C17 C18 -164.9(4) . . . . ?
C19 N2 C18 C17 155.1(5) . . . . ?
Cu2 N2 C18 C17 -27.8(5) . . . . ?
O2 C17 C18 N2 42.4(5) . . . . ?
C16 C17 C18 N2 163.1(4) . . . . ?
C18 N2 C19 C20 178.3(5) . . . . ?
Cu2 N2 C19 C20 1.6(8) . . . . ?
N2 C19 C20 C25 179.7(5) . . . . ?
N2 C19 C20 C21 -1.5(8) . . . . ?
Cu2 O3 C21 C20 -8.3(7) . . . . ?
Cu2 O3 C21 C22 172.7(3) . . . . ?
C25 C20 C21 O3 -176.4(5) . . . . ?
C19 C20 C21 O3 4.8(8) . . . . ?
C25 C20 C21 C22 2.6(7) . . . . ?
C19 C20 C21 C22 -176.1(5) . . . . ?
O3 C21 C22 C23 175.7(4) . . . . ?
C20 C21 C22 C23 -3.4(7) . . . . ?
O3 C21 C22 C30 -7.2(7) . . . . ?
C20 C21 C22 C30 173.8(4) . . . . ?
C21 C22 C23 C24 0.8(7) . . . . ?
C30 C22 C23 C24 -176.3(4) . . . . ?
C22 C23 C24 C25 2.7(7) . . . . ?
C22 C23 C24 C26 -177.6(5) . . . . ?
C23 C24 C25 C20 -3.5(7) . . . . ?
C26 C24 C25 C20 176.8(5) . . . . ?
C21 C20 C25 C24 0.9(8) . . . . ?
C19 C20 C25 C24 179.8(5) . . . . ?
C25 C24 C26 C27 -114.8(6) . . . . ?
C23 C24 C26 C27 65.5(6) . . . . ?
C25 C24 C26 C29 6.9(7) . . . . ?
C23 C24 C26 C29 -172.8(5) . . . . ?
C25 C24 C26 C28 124.9(5) . . . . ?
C23 C24 C26 C28 -54.8(7) . . . . ?
C23 C22 C30 C32 123.8(5) . . . . ?
C21 C22 C30 C32 -53.2(6) . . . . ?
C23 C22 C30 C31 3.5(7) . . . . ?
C21 C22 C30 C31 -173.5(4) . . . . ?
C23 C22 C30 C33 -113.8(5) . . . . ?
C21 C22 C30 C33 69.2(6) . . . . ?
P1 O7 C34 C39 -109.5(5) . . . . ?
P1 O7 C34 C35 72.8(6) . . . . ?
C39 C34 C35 C36 4.3(8) . . . . ?
O7 C34 C35 C36 -178.1(5) . . . . ?
C34 C35 C36 C37 -1.7(8) . . . . ?
C35 C36 C37 C38 -2.2(8) . . . . ?
C35 C36 C37 N3 175.0(5) . . . . ?
O9 N3 C37 C38 -13.9(8) . . . . ?
O8 N3 C37 C38 165.3(5) . . . . ?
O9 N3 C37 C36 168.7(5) . . . . ?
O8 N3 C37 C36 -12.1(7) . . . . ?
C36 C37 C38 C39 3.6(9) . . . . ?
N3 C37 C38 C39 -173.7(5) . . . . ?
C35 C34 C39 C38 -2.9(8) . . . . ?
O7 C34 C39 C38 179.4(5) . . . . ?
C37 C38 C39 C34 -0.9(8) . . . . ?
P1 O6 C40 C45 117.1(4) . . . . ?
P1 O6 C40 C41 -64.4(6) . . . . ?
C45 C40 C41 C42 0.1(8) . . . . ?
O6 C40 C41 C42 -178.3(4) . . . . ?
C40 C41 C42 C43 0.0(8) . . . . ?
C41 C42 C43 C44 -1.2(8) . . . . ?
C41 C42 C43 N4 179.2(5) . . . . ?
O11 N4 C43 C42 159.1(5) . . . . ?
O10 N4 C43 C42 -21.9(7) . . . . ?
O11 N4 C43 C44 -20.4(7) . . . . ?
O10 N4 C43 C44 158.5(5) . . . . ?
C42 C43 C44 C45 2.3(8) . . . . ?
N4 C43 C44 C45 -178.1(4) . . . . ?
C43 C44 C45 C40 -2.2(8) . . . . ?
C41 C40 C45 C44 1.1(8) . . . . ?
O6 C40 C45 C44 179.5(4) . . . . ?
