#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/38/7003823.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_7003823
loop_
_publ_author_name
'Majoumo-Mbé, F.'
'Kühl, O.'
'Lönnecke, P.'
'Silaghi-Dumitrescu, I.'
'Hey-Hawkins, E.'
_publ_section_title
;
 Bis(phosphanylamino)benzene ligands: a zinc(ii) complex and an unusual
 nickel(i) complex with a Dewar-benzene-type Ni2P2N2 backbone
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              3107
_journal_page_last               3114
_journal_paper_doi               10.1039/b720004h
_journal_year                    2008
_chemical_formula_sum            'C50 H66 N2 O2 P2'
_chemical_formula_weight         788.99
_chemical_name_systematic
;
?
;
_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                113.30(3)
_cell_angle_beta                 91.60(3)
_cell_angle_gamma                92.20(3)
_cell_formula_units_Z            2
_cell_length_a                   11.740(2)
_cell_length_b                   13.040(3)
_cell_length_c                   16.010(3)
_cell_measurement_reflns_used    956
_cell_measurement_temperature    217(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      2.43
_cell_volume                     2246.9(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick,1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      217(2)
_diffrn_measured_fraction_theta_full 0.798
_diffrn_measured_fraction_theta_max 0.798
_diffrn_measurement_device_type  'CCD area detector (AXS Bruker)'
_diffrn_measurement_method       'omega 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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11481
_diffrn_reflns_theta_full        28.68
_diffrn_reflns_theta_max         28.68
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.137
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.166
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.559
_refine_diff_density_min         -0.407
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     725
_refine_ls_number_reflns         9257
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0511
_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)+(0.1025P)²+0.0824P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1382
_refine_ls_wR_factor_ref         0.1541
_reflns_number_gt                6832
_reflns_number_total             9257
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b720004h.txt
_cod_data_source_block           c1075fin
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2246.9(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7003823
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
P1 P 1.23459(4) 0.81208(4) 0.37397(3) 0.02906(14) Uani 1 1 d . . .
P2 P 0.82915(4) 0.45295(4) 0.29579(3) 0.02978(14) Uani 1 1 d . . .
O1 O 0.8647(6) 0.8348(7) 0.0928(3) 0.284(4) Uani 1 1 d . . .
O2 O 0.16921(14) 0.46884(13) 0.23147(11) 0.0477(4) Uani 1 1 d . . .
N1 N 1.12348(13) 0.71443(13) 0.34311(11) 0.0307(4) Uani 1 1 d . . .
N2 N 0.93617(15) 0.54837(13) 0.30252(12) 0.0336(4) Uani 1 1 d . . .
C1 C 1.27934(16) 0.84101(16) 0.27546(13) 0.0319(4) Uani 1 1 d . . .
C2 C 1.22393(17) 0.80294(17) 0.18801(14) 0.0357(4) Uani 1 1 d . . .
C3 C 1.2575(2) 0.8512(2) 0.12804(16) 0.0461(5) Uani 1 1 d . . .
C4 C 1.3440(2) 0.9332(2) 0.14881(17) 0.0507(6) Uani 1 1 d . . .
C5 C 1.3991(2) 0.96833(19) 0.23421(17) 0.0461(5) Uani 1 1 d . . .
C6 C 1.36808(18) 0.92549(17) 0.29762(15) 0.0378(5) Uani 1 1 d . . .
C7 C 1.1297(2) 0.7117(2) 0.15455(17) 0.0478(6) Uani 1 1 d . . .
C8 C 1.3779(3) 0.9836(3) 0.0823(2) 0.0794(9) Uani 1 1 d . . .
H8A H 1.3714 0.9263 0.0209 0.119 Uiso 1 1 calc R . .
H8B H 1.4561 1.0139 0.0965 0.119 Uiso 1 1 calc R . .
H8C H 1.3279 1.0430 0.0870 0.119 Uiso 1 1 calc R . .
C9 C 1.4305(3) 0.9719(2) 0.3901(2) 0.0524(7) Uani 1 1 d . . .
C10 C 1.34886(15) 0.73652(15) 0.40221(13) 0.0284(4) Uani 1 1 d . . .
C11 C 1.36435(16) 0.76160(15) 0.49625(13) 0.0308(4) Uani 1 1 d . . .
C12 C 1.45320(18) 0.71658(17) 0.52741(14) 0.0353(4) Uani 1 1 d . . .
C13 C 1.52771(16) 0.64534(17) 0.46876(14) 0.0352(4) Uani 1 1 d . . .
C14 C 1.51028(17) 0.61913(17) 0.37652(14) 0.0340(4) Uani 1 1 d . . .
C15 C 1.42395(16) 0.66432(16) 0.34196(13) 0.0316(4) Uani 1 1 d . . .
C16 C 1.2888(2) 0.8388(2) 0.56602(15) 0.0416(5) Uani 1 1 d . . .
C17 C 1.6238(2) 0.5985(3) 0.5049(2) 0.0545(7) Uani 1 1 d . . .
C18 C 1.4182(2) 0.6338(2) 0.24085(15) 0.0466(6) Uani 1 1 d . . .
C19 C 1.00961(15) 0.74502(15) 0.35854(12) 0.0285(4) Uani 1 1 d . . .
C20 C 0.98395(18) 0.85774(17) 0.39565(16) 0.0396(5) Uani 1 1 d . . .
C21 C 0.8740(2) 0.89159(18) 0.41481(17) 0.0455(5) Uani 1 1 d . . .
C22 C 0.7852(2) 0.81261(19) 0.39431(17) 0.0465(6) Uani 1 1 d . . .
C23 C 0.80778(18) 0.70011(18) 0.35432(16) 0.0422(5) Uani 1 1 d . . .
C24 C 0.91853(16) 0.66374(15) 0.33794(13) 0.0305(4) Uani 1 1 d . . .
C25 C 0.74919(16) 0.40676(16) 0.18491(13) 0.0317(4) Uani 1 1 d . . .
C26 C 0.76197(19) 0.44933(17) 0.11687(14) 0.0375(5) Uani 1 1 d . . .
C27 C 0.6772(2) 0.4214(2) 0.04727(15) 0.0452(5) Uani 1 1 d . . .
C28 C 0.5822(2) 0.3514(2) 0.04026(15) 0.0461(6) Uani 1 1 d . . .
C29 C 0.57342(19) 0.3073(2) 0.10548(15) 0.0409(5) Uani 1 1 d . . .
C30 C 0.65358(17) 0.33490(17) 0.17800(13) 0.0342(4) Uani 1 1 d . . .
C31 C 0.8641(3) 0.5207(2) 0.11198(19) 0.0532(6) Uani 1 1 d . . .
C32 C 0.4932(3) 0.3226(4) -0.0367(2) 0.0688(9) Uani 1 1 d . . .
C33 C 0.6341(2) 0.2847(2) 0.24726(17) 0.0446(5) Uani 1 1 d . . .
C34 C 0.91369(16) 0.33699(15) 0.29583(13) 0.0306(4) Uani 1 1 d . . .
C35 C 0.95801(18) 0.25149(17) 0.22013(14) 0.0361(4) Uani 1 1 d . . .
C36 C 1.0261(2) 0.17437(18) 0.23499(16) 0.0426(5) Uani 1 1 d . . .
C37 C 1.05268(19) 0.17848(18) 0.32149(16) 0.0429(5) Uani 1 1 d . . .
C38 C 1.00542(18) 0.25992(18) 0.39457(15) 0.0386(5) Uani 1 1 d . . .
C39 C 0.93431(16) 0.33767(16) 0.38383(13) 0.0327(4) Uani 1 1 d . . .
C40 C 0.9348(2) 0.2374(2) 0.12295(16) 0.0491(6) Uani 1 1 d . . .
C41 C 1.1315(3) 0.0965(3) 0.3348(3) 0.0676(8) Uani 1 1 d . . .
C42 C 0.8796(2) 0.4179(2) 0.46728(15) 0.0409(5) Uani 1 1 d . . .
C43 C 0.8209(7) 0.9148(6) 0.0686(4) 0.162(3) Uani 1 1 d . . .
H43A H 0.7834 0.8804 0.0077 0.195 Uiso 1 1 calc R . .
H43B H 0.8820 0.9677 0.0677 0.195 Uiso 1 1 calc R . .
C44 C 0.7429(6) 0.9696(5) 0.1320(5) 0.163(2) Uani 1 1 d . . .
H44A H 0.6665 0.9586 0.1026 0.195 Uiso 1 1 calc R . .
H44B H 0.7635 1.0500 0.1595 0.195 Uiso 1 1 calc R . .
C45 C 0.7436(6) 0.9250(6) 0.2008(3) 0.176(3) Uani 1 1 d . . .
H45A H 0.7732 0.9817 0.2594 0.211 Uiso 1 1 calc R . .
H45B H 0.6664 0.8995 0.2082 0.211 Uiso 1 1 calc R . .
C46 C 0.8160(6) 0.8339(7) 0.1697(4) 0.212(4) Uani 1 1 d . . .
H46A H 0.8751 0.8421 0.2166 0.255 Uiso 1 1 calc R . .
H46B H 0.7717 0.7632 0.1554 0.255 Uiso 1 1 calc R . .
C47 C 0.2018(3) 0.4019(2) 0.14038(18) 0.0520(6) Uani 1 1 d . . .
C48 C 0.2520(3) 0.2993(2) 0.14511(19) 0.0556(6) Uani 1 1 d . . .
C49 C 0.3042(2) 0.3435(2) 0.24165(19) 0.0547(6) Uani 1 1 d . . .
C50 C 0.2218(2) 0.4288(2) 0.29503(17) 0.0456(5) Uani 1 1 d . . .
H1N1 H 1.1335(19) 0.643(2) 0.3089(15) 0.040(6) Uiso 1 1 d . . .
H1N2 H 0.995(2) 0.524(2) 0.2756(16) 0.043(7) Uiso 1 1 d . . .
H3 H 1.218(2) 0.824(2) 0.0687(18) 0.057(7) Uiso 1 1 d . . .
H5 H 1.459(2) 1.027(2) 0.2509(18) 0.064(8) Uiso 1 1 d . . .
H7A H 1.110(2) 0.692(2) 0.0899(17) 0.047(6) Uiso 1 1 d . . .
H7B H 1.061(2) 0.730(2) 0.1876(17) 0.047(7) Uiso 1 1 d . . .
H7C H 1.155(2) 0.638(2) 0.1557(17) 0.054(7) Uiso 1 1 d . . .
H9A H 1.481(2) 1.038(2) 0.3975(17) 0.058(7) Uiso 1 1 d . . .
H9B H 1.481(3) 0.924(3) 0.398(2) 0.076(9) Uiso 1 1 d . . .
H9C H 1.375(3) 0.991(3) 0.437(3) 0.103(13) Uiso 1 1 d . . .
H12 H 1.459(2) 0.733(2) 0.5887(17) 0.047(7) Uiso 1 1 d . . .
H14 H 1.5616(18) 0.5634(18) 0.3327(14) 0.034(5) Uiso 1 1 d . . .
H16A H 1.209(2) 0.818(2) 0.5551(17) 0.054(7) Uiso 1 1 d . . .
H16B H 1.302(2) 0.915(2) 0.5697(17) 0.056(7) Uiso 1 1 d . . .
H16C H 1.299(2) 0.836(2) 0.629(2) 0.070(8) Uiso 1 1 d . . .
H17A H 1.684(4) 0.645(4) 0.520(3) 0.110(14) Uiso 1 1 d . . .
H17B H 1.600(2) 0.569(3) 0.551(2) 0.072(9) Uiso 1 1 d . . .
H17C H 1.657(4) 0.540(4) 0.460(3) 0.123(15) Uiso 1 1 d . . .
H18A H 1.343(3) 0.624(2) 0.2163(19) 0.063(8) Uiso 1 1 d . . .
H18B H 1.463(2) 0.566(2) 0.2095(16) 0.046(6) Uiso 1 1 d . . .
H18C H 1.455(2) 0.688(3) 0.2260(19) 0.064(9) Uiso 1 1 d . . .
H20 H 1.043(2) 0.914(3) 0.408(2) 0.070(8) Uiso 1 1 d . . .
H21 H 0.863(2) 0.976(2) 0.4486(18) 0.062(8) Uiso 1 1 d . . .
H22 H 0.709(2) 0.833(2) 0.4098(16) 0.052(7) Uiso 1 1 d . . .
H23 H 0.741(2) 0.646(2) 0.3420(18) 0.061(8) Uiso 1 1 d . . .
H27 H 0.691(2) 0.445(2) 0.0019(18) 0.051(7) Uiso 1 1 d . . .
H29 H 0.509(2) 0.262(2) 0.1003(16) 0.044(6) Uiso 1 1 d . . .
H31A H 0.867(2) 0.593(2) 0.1626(18) 0.053(7) Uiso 1 1 d . . .
H31B H 0.858(2) 0.535(3) 0.059(2) 0.073(9) Uiso 1 1 d . . .
H31C H 0.939(3) 0.482(3) 0.113(2) 0.085(10) Uiso 1 1 d . . .
H32A H 0.518(3) 0.267(3) -0.096(3) 0.094(11) Uiso 1 1 d . . .
H32B H 0.431(4) 0.292(4) -0.022(3) 0.127(17) Uiso 1 1 d . . .
H32C H 0.484(3) 0.386(3) -0.052(3) 0.099(12) Uiso 1 1 d . . .
H33A H 0.632(2) 0.343(2) 0.308(2) 0.063(8) Uiso 1 1 d . . .
H33B H 0.695(3) 0.230(3) 0.245(2) 0.085(10) Uiso 1 1 d . . .
H33C H 0.560(2) 0.234(2) 0.2352(19) 0.066(8) Uiso 1 1 d . . .
H36 H 1.055(2) 0.119(2) 0.1812(17) 0.046(6) Uiso 1 1 d . . .
H38 H 1.023(2) 0.263(2) 0.4531(17) 0.049(7) Uiso 1 1 d . . .
H40A H 0.945(2) 0.304(2) 0.1179(17) 0.049(7) Uiso 1 1 d . . .
H40B H 0.853(2) 0.210(2) 0.1055(16) 0.046(6) Uiso 1 1 d . . .
H40C H 0.984(2) 0.181(2) 0.084(2) 0.066(8) Uiso 1 1 d . . .
H41A H 1.140(3) 0.106(3) 0.393(3) 0.102(13) Uiso 1 1 d . . .
H41B H 1.098(4) 0.019(4) 0.301(3) 0.126(15) Uiso 1 1 d . . .
H41C H 1.199(4) 0.088(4) 0.307(3) 0.130(17) Uiso 1 1 d . . .
H42A H 0.800(2) 0.400(2) 0.4610(16) 0.046(6) Uiso 1 1 d . . .
H42B H 0.912(2) 0.413(2) 0.5208(16) 0.044(6) Uiso 1 1 d . . .
H42C H 0.892(2) 0.496(3) 0.4755(18) 0.063(8) Uiso 1 1 d . . .
H47A H 0.274(3) 0.446(3) 0.125(2) 0.076(9) Uiso 1 1 d . . .
H47B H 0.142(2) 0.385(2) 0.0992(18) 0.053(7) Uiso 1 1 d . . .
H48A H 0.305(2) 0.266(2) 0.0972(19) 0.061(8) Uiso 1 1 d . . .
H48B H 0.196(3) 0.239(3) 0.138(2) 0.071(9) Uiso 1 1 d . . .
H49A H 0.390(3) 0.379(2) 0.2443(19) 0.067(8) Uiso 1 1 d . . .
H49B H 0.305(3) 0.284(3) 0.264(2) 0.080(10) Uiso 1 1 d . . .
H50A H 0.256(2) 0.490(2) 0.3455(18) 0.054(7) Uiso 1 1 d . . .
H50B H 0.162(2) 0.396(2) 0.3221(19) 0.063(8) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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 P1 C10 101.61(8) . . ?
N1 P1 C1 110.71(9) . . ?
C10 P1 C1 107.26(9) . . ?
N2 P2 C34 100.06(8) . . ?
N2 P2 C25 110.10(9) . . ?
C34 P2 C25 108.27(9) . . ?
C43 O1 C46 111.0(5) . . ?
C47 O2 C50 109.49(17) . . ?
C19 N1 P1 121.65(13) . . ?
C24 N2 P2 121.32(15) . . ?
C2 C1 C6 118.17(18) . . ?
C2 C1 P1 127.46(15) . . ?
C6 C1 P1 113.46(15) . . ?
C3 C2 C1 118.9(2) . . ?
C3 C2 C7 117.26(19) . . ?
C1 C2 C7 123.82(19) . . ?
C4 C3 C2 123.4(2) . . ?
C3 C4 C5 117.1(2) . . ?
C3 C4 C8 121.9(3) . . ?
C5 C4 C8 120.9(3) . . ?
C6 C5 C4 122.3(2) . . ?
C5 C6 C1 120.1(2) . . ?
C5 C6 C9 118.5(2) . . ?
C1 C6 C9 121.44(19) . . ?
C15 C10 C11 118.52(17) . . ?
C15 C10 P1 127.28(15) . . ?
C11 C10 P1 114.07(14) . . ?
C12 C11 C10 119.88(18) . . ?
C12 C11 C16 117.79(18) . . ?
C10 C11 C16 122.32(17) . . ?
C13 C12 C11 122.15(19) . . ?
C14 C13 C12 117.58(18) . . ?
C14 C13 C17 121.6(2) . . ?
C12 C13 C17 120.8(2) . . ?
C13 C14 C15 122.46(19) . . ?
C14 C15 C10 119.36(18) . . ?
C14 C15 C18 117.13(19) . . ?
C10 C15 C18 123.50(18) . . ?
C20 C19 N1 120.54(18) . . ?
C20 C19 C24 118.03(17) . . ?
N1 C19 C24 121.43(16) . . ?
C21 C20 C19 122.5(2) . . ?
C22 C21 C20 119.5(2) . . ?
C21 C22 C23 119.2(2) . . ?
C22 C23 C24 122.4(2) . . ?
C23 C24 N2 119.54(18) . . ?
C23 C24 C19 118.31(17) . . ?
N2 C24 C19 122.15(17) . . ?
C30 C25 C26 118.58(17) . . ?
C30 C25 P2 112.91(14) . . ?
C26 C25 P2 127.54(16) . . ?
C27 C26 C25 118.7(2) . . ?
C27 C26 C31 117.0(2) . . ?
C25 C26 C31 124.3(2) . . ?
C28 C27 C26 123.2(2) . . ?
C29 C28 C27 117.3(2) . . ?
C29 C28 C32 121.3(3) . . ?
C27 C28 C32 121.4(2) . . ?
C28 C29 C30 122.0(2) . . ?
C29 C30 C25 120.18(19) . . ?
C29 C30 C33 117.84(19) . . ?
C25 C30 C33 121.97(17) . . ?
C35 C34 C39 118.89(18) . . ?
C35 C34 P2 127.53(15) . . ?
C39 C34 P2 113.58(14) . . ?
C36 C35 C34 118.81(19) . . ?
C36 C35 C40 117.6(2) . . ?
C34 C35 C40 123.63(19) . . ?
C37 C36 C35 122.7(2) . . ?
C38 C37 C36 117.88(19) . . ?
C38 C37 C41 121.2(2) . . ?
C36 C37 C41 120.9(2) . . ?
C37 C38 C39 122.0(2) . . ?
C38 C39 C34 119.47(19) . . ?
C38 C39 C42 117.94(19) . . ?
C34 C39 C42 122.58(18) . . ?
O1 C43 C44 107.6(5) . . ?
C43 C44 C45 108.4(5) . . ?
C46 C45 C44 105.5(5) . . ?
O1 C46 C45 107.0(5) . . ?
O2 C47 C48 106.0(2) . . ?
C47 C48 C49 102.6(2) . . ?
C50 C49 C48 103.0(2) . . ?
O2 C50 C49 106.3(2) . . ?
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
P1 N1 1.7047(17) . ?
P1 C10 1.8425(19) . ?
P1 C1 1.846(2) . ?
P2 N2 1.7043(18) . ?
P2 C34 1.841(2) . ?
P2 C25 1.847(2) . ?
O1 C43 1.362(7) . ?
O1 C46 1.375(7) . ?
O2 C47 1.444(3) . ?
O2 C50 1.449(3) . ?
N1 C19 1.410(2) . ?
N2 C24 1.408(2) . ?
C1 C2 1.416(3) . ?
C1 C6 1.417(3) . ?
C2 C3 1.397(3) . ?
C2 C7 1.513(3) . ?
C3 C4 1.379(4) . ?
C4 C5 1.389(4) . ?
C4 C8 1.510(4) . ?
C5 C6 1.389(3) . ?
C6 C9 1.514(3) . ?
C10 C15 1.410(3) . ?
C10 C11 1.413(3) . ?
C11 C12 1.390(3) . ?
C11 C16 1.511(3) . ?
C12 C13 1.389(3) . ?
C13 C14 1.385(3) . ?
C13 C17 1.509(3) . ?
C14 C15 1.398(3) . ?
C15 C18 1.505(3) . ?
C19 C20 1.399(3) . ?
C19 C24 1.411(3) . ?
C20 C21 1.384(3) . ?
C21 C22 1.373(3) . ?
C22 C23 1.389(3) . ?
C23 C24 1.397(3) . ?
C25 C30 1.407(3) . ?
C25 C26 1.414(3) . ?
C26 C27 1.398(3) . ?
C26 C31 1.512(3) . ?
C27 C28 1.387(3) . ?
C28 C29 1.381(3) . ?
C28 C32 1.511(3) . ?
C29 C30 1.395(3) . ?
C30 C33 1.512(3) . ?
C34 C35 1.412(3) . ?
C34 C39 1.419(3) . ?
C35 C36 1.395(3) . ?
C35 C40 1.509(3) . ?
C36 C37 1.391(3) . ?
C37 C38 1.380(3) . ?
C37 C41 1.513(3) . ?
C38 C39 1.396(3) . ?
C39 C42 1.512(3) . ?
C43 C44 1.382(8) . ?
C44 C45 1.434(8) . ?
C45 C46 1.420(6) . ?
C47 C48 1.509(4) . ?
C48 C49 1.521(4) . ?
C49 C50 1.510(3) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30652653
