#------------------------------------------------------------------------------
#$Date: 2019-11-28 17:01:17 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244148 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/62/1556288.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_1556288
loop_
_publ_author_name
'Wheaton, Craig A.'
'Hayes, Paul G.'
_publ_section_title
;
 Exploring the versatility of a bis(phosphinimine) pincer ligand: effect
 of sterics on structure and lactide polymerization activity of cationic
 zinc complexes
;
_journal_issue                   1
_journal_name_full               'Catal. Sci. Technol.'
_journal_page_first              125
_journal_paper_doi               10.1039/C1CY00306B
_journal_volume                  2
_journal_year                    2012
_chemical_formula_sum            'C51 H39 N2 O P2'
_chemical_formula_weight         757.78
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                104.285(15)
_cell_angle_beta                 90.990(14)
_cell_angle_gamma                92.535(15)
_cell_formula_units_Z            2
_cell_length_a                   9.373(11)
_cell_length_b                   13.769(17)
_cell_length_c                   17.95(2)
_cell_measurement_reflns_used    4068
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      45.127
_cell_measurement_theta_min      4.661
_cell_volume                     2242(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.1176
_diffrn_reflns_av_sigmaI/netI    0.1608
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26495
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.134
_exptl_absorpt_correction_T_max  0.9898
_exptl_absorpt_correction_T_min  0.9651
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.123
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             794
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.236
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.915
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         7900
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.915
_refine_ls_R_factor_all          0.1780
_refine_ls_R_factor_gt           0.0794
_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)+(0.0918P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1825
_refine_ls_wR_factor_ref         0.2141
_reflns_number_gt                3097
_reflns_number_total             7900
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cy00306b.txt
_cod_data_source_block           L3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1556288
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
P1 P 0.76025(13) 0.03208(11) 0.30615(8) 0.0495(4) Uani 1 1 d .
O1 O 0.5947(3) -0.1969(3) 0.23598(17) 0.0511(9) Uani 1 1 d .
N1 N 0.7758(4) 0.1493(3) 0.3415(2) 0.0541(11) Uani 1 1 d .
C1 C 0.5189(5) -0.1094(4) 0.2525(3) 0.0467(13) Uani 1 1 d .
P2 P 0.71161(14) -0.41825(13) 0.17588(9) 0.0757(6) Uani 1 1 d .
C2 C 0.5754(5) -0.0115(4) 0.2807(3) 0.0477(13) Uani 1 1 d .
N2 N 0.8250(4) -0.3630(4) 0.1356(3) 0.0861(16) Uani 1 1 d .
C3 C 0.4765(5) 0.0624(4) 0.2898(3) 0.0590(15) Uani 1 1 d .
H3 H 0.5088 0.1304 0.3097 0.071 Uiso 1 1 calc R
C4 C 0.3309(5) 0.0405(5) 0.2709(3) 0.0665(16) Uani 1 1 d .
H4 H 0.2683 0.0940 0.2758 0.080 Uiso 1 1 calc R
C5 C 0.2780(5) -0.0554(5) 0.2457(3) 0.0597(15) Uani 1 1 d .
H5 H 0.1787 -0.0697 0.2345 0.072 Uiso 1 1 calc R
C6 C 0.3726(5) -0.1327(5) 0.2365(3) 0.0547(14) Uani 1 1 d .
C7 C 0.3578(5) -0.2394(5) 0.2082(3) 0.0547(14) Uani 1 1 d .
C8 C 0.2439(5) -0.3087(5) 0.1827(3) 0.0719(18) Uani 1 1 d .
H8 H 0.1491 -0.2869 0.1827 0.086 Uiso 1 1 calc R
C9 C 0.2693(6) -0.4082(5) 0.1577(3) 0.087(2) Uani 1 1 d .
H9 H 0.1910 -0.4551 0.1406 0.104 Uiso 1 1 calc R
C10 C 0.4092(6) -0.4434(5) 0.1564(3) 0.0800(19) Uani 1 1 d .
H10 H 0.4225 -0.5133 0.1385 0.096 Uiso 1 1 calc R
C11 C 0.5294(5) -0.3769(4) 0.1813(3) 0.0613(15) Uani 1 1 d .
C12 C 0.4955(5) -0.2765(4) 0.2081(3) 0.0543(14) Uani 1 1 d .
C13 C 0.8335(3) -0.0463(2) 0.36378(17) 0.0456(12) Uani 1 1 d G
C14 C 0.7506(3) -0.1054(3) 0.4007(2) 0.0723(17) Uani 1 1 d G
H14 H 0.6495 -0.1093 0.3941 0.087 Uiso 1 1 calc R
C15 C 0.8155(4) -0.1586(3) 0.4473(2) 0.088(2) Uani 1 1 d G
H15 H 0.7588 -0.1990 0.4725 0.105 Uiso 1 1 calc R
C16 C 0.9633(5) -0.1528(2) 0.45696(19) 0.0763(19) Uani 1 1 d G
H16 H 1.0077 -0.1892 0.4888 0.092 Uiso 1 1 calc R
C17 C 1.0463(3) -0.0937(3) 0.4201(2) 0.0650(16) Uani 1 1 d G
H17 H 1.1473 -0.0898 0.4267 0.078 Uiso 1 1 calc R
C18 C 0.9814(3) -0.0405(2) 0.37347(18) 0.0493(13) Uani 1 1 d G
H18 H 1.0380 -0.0001 0.3482 0.059 Uiso 1 1 calc R
C19 C 0.8619(3) 0.0067(3) 0.21872(16) 0.0482(13) Uani 1 1 d G
C20 C 0.9263(4) 0.0862(2) 0.1947(2) 0.0601(15) Uani 1 1 d G
H20 H 0.9145 0.1533 0.2230 0.072 Uiso 1 1 calc R
C21 C 1.0081(3) 0.0675(3) 0.1293(2) 0.0782(19) Uani 1 1 d G
H21 H 1.0522 0.1219 0.1129 0.094 Uiso 1 1 calc R
C22 C 1.0254(3) -0.0306(3) 0.08790(16) 0.0661(16) Uani 1 1 d G
H22 H 1.0813 -0.0433 0.0432 0.079 Uiso 1 1 calc R
C23 C 0.9610(3) -0.1101(2) 0.11192(18) 0.0605(15) Uani 1 1 d G
H23 H 0.9728 -0.1771 0.0836 0.073 Uiso 1 1 calc R
C24 C 0.8792(3) -0.0914(2) 0.1773(2) 0.0590(15) Uani 1 1 d G
H24 H 0.8351 -0.1457 0.1937 0.071 Uiso 1 1 calc R
C25 C 0.7277(3) 0.2036(3) 0.41421(17) 0.0544(14) Uani 1 1 d G
C26 C 0.7586(3) 0.3065(3) 0.4337(2) 0.0546(14) Uani 1 1 d G
H26 H 0.8068 0.3373 0.3987 0.066 Uiso 1 1 calc R
C27 C 0.7189(4) 0.3646(2) 0.5045(2) 0.0718(17) Uani 1 1 d G
H27 H 0.7400 0.4350 0.5178 0.086 Uiso 1 1 calc R
C28 C 0.6484(4) 0.3196(4) 0.55576(17) 0.083(2) Uani 1 1 d G
H28 H 0.6214 0.3593 0.6041 0.100 Uiso 1 1 calc R
C29 C 0.6176(3) 0.2166(4) 0.5362(2) 0.0795(19) Uani 1 1 d G
H29 H 0.5694 0.1859 0.5713 0.095 Uiso 1 1 calc R
C30 C 0.6572(4) 0.1586(2) 0.4655(2) 0.0669(16) Uani 1 1 d G
H30 H 0.6361 0.0882 0.4521 0.080 Uiso 1 1 calc R
C31 C 0.7753(4) -0.4055(3) 0.27492(19) 0.0767(18) Uani 1 1 d G
C32 C 0.9213(4) -0.4007(3) 0.2913(3) 0.094(2) Uani 1 1 d G
H32 H 0.9872 -0.3938 0.2531 0.112 Uiso 1 1 calc R
C33 C 0.9709(3) -0.4062(3) 0.3635(3) 0.095(2) Uani 1 1 d G
H33 H 1.0707 -0.4029 0.3746 0.114 Uiso 1 1 calc R
C34 C 0.8744(5) -0.4163(3) 0.4193(2) 0.088(2) Uani 1 1 d G
H34 H 0.9083 -0.4200 0.4687 0.106 Uiso 1 1 calc R
C35 C 0.7284(5) -0.4210(3) 0.4030(2) 0.0755(17) Uani 1 1 d G
H35 H 0.6625 -0.4280 0.4412 0.091 Uiso 1 1 calc R
C36 C 0.6789(3) -0.4156(3) 0.3308(2) 0.0703(17) Uani 1 1 d G
H36 H 0.5791 -0.4189 0.3196 0.084 Uiso 1 1 calc R
C37 C 0.6904(3) -0.5541(3) 0.1344(3) 0.0766(19) Uani 1 1 d G
C38 C 0.6818(3) -0.5885(3) 0.0548(2) 0.0778(19) Uani 1 1 d G
H38 H 0.6799 -0.5420 0.0235 0.093 Uiso 1 1 calc R
C39 C 0.6759(3) -0.6910(4) 0.0209(2) 0.094(2) Uani 1 1 d G
H39 H 0.6701 -0.7145 -0.0336 0.113 Uiso 1 1 calc R
C40 C 0.6787(3) -0.7590(3) 0.0666(3) 0.093(2) Uani 1 1 d G
H40 H 0.6747 -0.8290 0.0434 0.111 Uiso 1 1 calc R
C41 C 0.6873(4) -0.7246(4) 0.1462(3) 0.094(2) Uani 1 1 d G
H41 H 0.6891 -0.7710 0.1774 0.113 Uiso 1 1 calc R
C42 C 0.6931(4) -0.6221(4) 0.18009(19) 0.089(2) Uani 1 1 d G
H42 H 0.6990 -0.5985 0.2345 0.107 Uiso 1 1 calc R
C43 C 0.8169(4) -0.3540(3) 0.0592(2) 0.085(2) Uani 1 1 d G
C44 C 0.6995(3) -0.3170(3) 0.0288(2) 0.083(2) Uani 1 1 d G
H44 H 0.6157 -0.3038 0.0579 0.100 Uiso 1 1 calc R
C45 C 0.7048(4) -0.2994(3) -0.0441(3) 0.088(2) Uani 1 1 d G
H45 H 0.6246 -0.2741 -0.0648 0.105 Uiso 1 1 calc R
C46 C 0.8275(5) -0.3187(3) -0.0866(2) 0.096(2) Uani 1 1 d G
H46 H 0.8311 -0.3066 -0.1364 0.115 Uiso 1 1 calc R
C47 C 0.9448(4) -0.3556(3) -0.0562(3) 0.106(3) Uani 1 1 d G
H47 H 1.0287 -0.3688 -0.0853 0.127 Uiso 1 1 calc R
C48 C 0.9395(3) -0.3733(3) 0.0167(3) 0.099(2) Uani 1 1 d G
H48 H 1.0198 -0.3986 0.0374 0.119 Uiso 1 1 calc R
C1S C 0.5836(9) -1.0278(6) -0.0615(4) 0.099(2) Uani 1 1 d .
H1S H 0.6412 -1.0486 -0.1051 0.119 Uiso 1 1 calc R
C2S C 0.6233(7) -1.0453(5) 0.0069(6) 0.100(2) Uani 1 1 d .
H2S H 0.7108 -1.0757 0.0119 0.120 Uiso 1 1 calc R
C3S C 0.5384(10) -1.0195(6) 0.0677(4) 0.096(2) Uani 1 1 d .
H3S H 0.5641 -1.0343 0.1149 0.116 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'
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
N1 P1 C13 116.5(2) . .
N1 P1 C19 106.46(19) . .
C13 P1 C19 105.18(18) . .
N1 P1 C2 112.2(2) . .
C13 P1 C2 107.8(2) . .
C19 P1 C2 108.2(2) . .
C12 O1 C1 106.9(4) . .
C25 N1 P1 127.1(3) . .
C2 C1 O1 126.8(4) . .
C2 C1 C6 122.9(5) . .
O1 C1 C6 110.3(5) . .
N2 P2 C11 118.5(3) . .
N2 P2 C31 107.7(2) . .
C11 P2 C31 106.6(2) . .
N2 P2 C37 114.3(2) . .
C11 P2 C37 104.0(2) . .
C31 P2 C37 104.8(2) . .
C3 C2 C1 115.1(5) . .
C3 C2 P1 116.0(4) . .
C1 C2 P1 128.9(4) . .
C43 N2 P2 126.3(3) . .
C2 C3 C4 122.6(5) . .
C2 C3 H3 118.7 . .
C4 C3 H3 118.7 . .
C5 C4 C3 121.2(5) . .
C5 C4 H4 119.4 . .
C3 C4 H4 119.4 . .
C4 C5 C6 118.5(5) . .
C4 C5 H5 120.8 . .
C6 C5 H5 120.8 . .
C5 C6 C1 119.6(5) . .
C5 C6 C7 134.1(5) . .
C1 C6 C7 106.1(5) . .
C8 C7 C12 117.6(5) . .
C8 C7 C6 135.1(5) . .
C12 C7 C6 107.3(4) . .
C9 C8 C7 119.5(5) . .
C9 C8 H8 120.2 . .
C7 C8 H8 120.2 . .
C8 C9 C10 121.9(5) . .
C8 C9 H9 119.1 . .
C10 C9 H9 119.1 . .
C11 C10 C9 121.4(6) . .
C11 C10 H10 119.3 . .
C9 C10 H10 119.3 . .
C12 C11 C10 113.8(5) . .
C12 C11 P2 123.4(4) . .
C10 C11 P2 122.7(5) . .
O1 C12 C11 124.8(4) . .
O1 C12 C7 109.3(5) . .
C11 C12 C7 125.8(5) . .
C14 C13 C18 120.0 . .
C14 C13 P1 123.9(2) . .
C18 C13 P1 116.0(2) . .
C15 C14 C13 120.0 . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C14 C15 C16 120.0 . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C15 C16 C17 120.0 . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C18 C17 C16 120.0 . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C13 120.0 . .
C17 C18 H18 120.0 . .
C13 C18 H18 120.0 . .
C20 C19 C24 120.0 . .
C20 C19 P1 119.5(2) . .
C24 C19 P1 120.5(2) . .
C21 C20 C19 120.0 . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C22 120.0 . .
C20 C21 H21 120.0 . .
C22 C21 H21 120.0 . .
C23 C22 C21 120.0 . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 120.0 . .
C22 C23 H23 120.0 . .
C24 C23 H23 120.0 . .
C23 C24 C19 120.0 . .
C23 C24 H24 120.0 . .
C19 C24 H24 120.0 . .
C26 C25 C30 120.0 . .
C26 C25 N1 116.3(3) . .
C30 C25 N1 123.6(3) . .
C25 C26 C27 120.0 . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C28 C27 C26 120.0 . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C27 C28 C29 120.0 . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C30 C29 C28 120.0 . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C29 C30 C25 120.0 . .
C29 C30 H30 120.0 . .
C25 C30 H30 120.0 . .
C32 C31 C36 120.0 . .
C32 C31 P2 119.5(3) . .
C36 C31 P2 119.8(3) . .
C31 C32 C33 120.0 . .
C31 C32 H32 120.0 . .
C33 C32 H32 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C35 C34 C33 120.0 . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 120.0 . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C35 C36 C31 120.0 . .
C35 C36 H36 120.0 . .
C31 C36 H36 120.0 . .
C38 C37 C42 120.0 . .
C38 C37 P2 118.2(3) . .
C42 C37 P2 121.6(3) . .
C39 C38 C37 120.0 . .
C39 C38 H38 120.0 . .
C37 C38 H38 120.0 . .
C38 C39 C40 120.0 . .
C38 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C41 C40 C39 120.0 . .
C41 C40 H40 120.0 . .
C39 C40 H40 120.0 . .
C42 C41 C40 120.0 . .
C42 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
C41 C42 C37 120.0 . .
C41 C42 H42 120.0 . .
C37 C42 H42 120.0 . .
C44 C43 C48 120.0 . .
C44 C43 N2 122.9(3) . .
C48 C43 N2 116.7(3) . .
C43 C44 C45 120.0 . .
C43 C44 H44 120.0 . .
C45 C44 H44 120.0 . .
C44 C45 C46 120.0 . .
C44 C45 H45 120.0 . .
C46 C45 H45 120.0 . .
C47 C46 C45 120.0 . .
C47 C46 H46 120.0 . .
C45 C46 H46 120.0 . .
C46 C47 C48 120.0 . .
C46 C47 H47 120.0 . .
C48 C47 H47 120.0 . .
C47 C48 C43 120.0 . .
C47 C48 H48 120.0 . .
C43 C48 H48 120.0 . .
C3S C1S C2S 119.9(6) 2_635 .
C3S C1S H1S 120.0 2_635 .
C2S C1S H1S 120.0 . .
C3S C2S C1S 119.9(6) . .
C3S C2S H2S 120.1 . .
C1S C2S H2S 120.1 . .
C2S C3S C1S 120.1(6) . 2_635
C2S C3S H3S 119.9 . .
C1S C3S H3S 119.9 2_635 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 N1 1.582(4) .
P1 C13 1.816(3) .
P1 C19 1.817(3) .
P1 C2 1.821(5) .
O1 C12 1.393(5) .
O1 C1 1.396(6) .
N1 C25 1.425(5) .
C1 C2 1.394(7) .
C1 C6 1.403(6) .
P2 N2 1.569(5) .
P2 C11 1.820(6) .
P2 C31 1.830(4) .
P2 C37 1.835(4) .
C2 C3 1.389(6) .
N2 C43 1.407(6) .
C3 C4 1.402(7) .
C3 H3 0.9500 .
C4 C5 1.355(7) .
C4 H4 0.9500 .
C5 C6 1.396(7) .
C5 H5 0.9500 .
C6 C7 1.431(7) .
C7 C8 1.392(7) .
C7 C12 1.409(6) .
C8 C9 1.366(7) .
C8 H8 0.9500 .
C9 C10 1.417(7) .
C9 H9 0.9500 .
C10 C11 1.413(7) .
C10 H10 0.9500 .
C11 C12 1.400(7) .
C13 C14 1.3900 .
C13 C18 1.3900 .
C14 C15 1.3900 .
C14 H14 0.9500 .
C15 C16 1.3900 .
C15 H15 0.9500 .
C16 C17 1.3900 .
C16 H16 0.9500 .
C17 C18 1.3900 .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.3900 .
C19 C24 1.3900 .
C20 C21 1.3900 .
C20 H20 0.9500 .
C21 C22 1.3900 .
C21 H21 0.9500 .
C22 C23 1.3900 .
C22 H22 0.9500 .
C23 C24 1.3900 .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.3900 .
C25 C30 1.3900 .
C26 C27 1.3900 .
C26 H26 0.9500 .
C27 C28 1.3900 .
C27 H27 0.9500 .
C28 C29 1.3900 .
C28 H28 0.9500 .
C29 C30 1.3900 .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.3900 .
C31 C36 1.3900 .
C32 C33 1.3900 .
C32 H32 0.9500 .
C33 C34 1.3900 .
C33 H33 0.9500 .
C34 C35 1.3900 .
C34 H34 0.9500 .
C35 C36 1.3900 .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.3900 .
C37 C42 1.3900 .
C38 C39 1.3900 .
C38 H38 0.9500 .
C39 C40 1.3900 .
C39 H39 0.9500 .
C40 C41 1.3900 .
C40 H40 0.9500 .
C41 C42 1.3900 .
C41 H41 0.9500 .
C42 H42 0.9500 .
C43 C44 1.3900 .
C43 C48 1.3900 .
C44 C45 1.3900 .
C44 H44 0.9500 .
C45 C46 1.3900 .
C45 H45 0.9500 .
C46 C47 1.3900 .
C46 H46 0.9500 .
C47 C48 1.3900 .
C47 H47 0.9500 .
C48 H48 0.9500 .
C1S C3S 1.357(9) 2_635
C1S C2S 1.358(9) .
C1S H1S 0.9500 .
C2S C3S 1.346(9) .
C2S H2S 0.9500 .
C3S C1S 1.357(9) 2_635
C3S H3S 0.9500 .
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_4
C13 P1 N1 C25 -55.9(4) . .
C19 P1 N1 C25 -172.8(3) . .
C2 P1 N1 C25 69.0(4) . .
C12 O1 C1 C2 -179.1(4) . .
C12 O1 C1 C6 0.9(5) . .
O1 C1 C2 C3 178.1(4) . .
C6 C1 C2 C3 -1.8(7) . .
O1 C1 C2 P1 -1.4(7) . .
C6 C1 C2 P1 178.7(4) . .
N1 P1 C2 C3 4.6(4) . .
C13 P1 C2 C3 134.2(4) . .
C19 P1 C2 C3 -112.6(4) . .
N1 P1 C2 C1 -176.0(4) . .
C13 P1 C2 C1 -46.4(5) . .
C19 P1 C2 C1 66.9(5) . .
C11 P2 N2 C43 -58.5(5) . .
C31 P2 N2 C43 -179.4(4) . .
C37 P2 N2 C43 64.6(5) . .
C1 C2 C3 C4 -1.0(7) . .
P1 C2 C3 C4 178.5(4) . .
C2 C3 C4 C5 3.0(8) . .
C3 C4 C5 C6 -2.0(8) . .
C4 C5 C6 C1 -0.8(7) . .
C4 C5 C6 C7 -176.3(5) . .
C2 C1 C6 C5 2.8(7) . .
O1 C1 C6 C5 -177.1(4) . .
C2 C1 C6 C7 179.4(4) . .
O1 C1 C6 C7 -0.5(5) . .
C5 C6 C7 C8 -4.1(10) . .
C1 C6 C7 C8 -180.0(6) . .
C5 C6 C7 C12 175.8(5) . .
C1 C6 C7 C12 -0.1(5) . .
C12 C7 C8 C9 -1.1(8) . .
C6 C7 C8 C9 178.8(6) . .
C7 C8 C9 C10 -0.4(9) . .
C8 C9 C10 C11 0.2(9) . .
C9 C10 C11 C12 1.5(8) . .
C9 C10 C11 P2 -176.7(4) . .
N2 P2 C11 C12 -50.2(5) . .
C31 P2 C11 C12 71.3(5) . .
C37 P2 C11 C12 -178.3(4) . .
N2 P2 C11 C10 127.8(5) . .
C31 P2 C11 C10 -110.6(5) . .
C37 P2 C11 C10 -0.3(5) . .
C1 O1 C12 C11 176.6(4) . .
C1 O1 C12 C7 -0.9(5) . .
C10 C11 C12 O1 179.7(4) . .
P2 C11 C12 O1 -2.1(7) . .
C10 C11 C12 C7 -3.2(8) . .
P2 C11 C12 C7 175.0(4) . .
C8 C7 C12 O1 -179.5(4) . .
C6 C7 C12 O1 0.6(5) . .
C8 C7 C12 C11 3.1(7) . .
C6 C7 C12 C11 -176.8(5) . .
N1 P1 C13 C14 108.9(2) . .
C19 P1 C13 C14 -133.6(2) . .
C2 P1 C13 C14 -18.3(3) . .
N1 P1 C13 C18 -67.6(2) . .
C19 P1 C13 C18 50.0(2) . .
C2 P1 C13 C18 165.3(2) . .
C18 C13 C14 C15 0.0 . .
P1 C13 C14 C15 -176.3(3) . .
C13 C14 C15 C16 0.0 . .
C14 C15 C16 C17 0.0 . .
C15 C16 C17 C18 0.0 . .
C16 C17 C18 C13 0.0 . .
C14 C13 C18 C17 0.0 . .
P1 C13 C18 C17 176.6(2) . .
N1 P1 C19 C20 -3.3(2) . .
C13 P1 C19 C20 -127.5(2) . .
C2 P1 C19 C20 117.5(2) . .
N1 P1 C19 C24 174.6(2) . .
C13 P1 C19 C24 50.4(2) . .
C2 P1 C19 C24 -64.6(3) . .
C24 C19 C20 C21 0.0 . .
P1 C19 C20 C21 177.9(2) . .
C19 C20 C21 C22 0.0 . .
C20 C21 C22 C23 0.0 . .
C21 C22 C23 C24 0.0 . .
C22 C23 C24 C19 0.0 . .
C20 C19 C24 C23 0.0 . .
P1 C19 C24 C23 -177.9(2) . .
P1 N1 C25 C26 177.8(2) . .
P1 N1 C25 C30 -0.4(5) . .
C30 C25 C26 C27 0.0 . .
N1 C25 C26 C27 -178.2(3) . .
C25 C26 C27 C28 0.0 . .
C26 C27 C28 C29 0.0 . .
C27 C28 C29 C30 0.0 . .
C28 C29 C30 C25 0.0 . .
C26 C25 C30 C29 0.0 . .
N1 C25 C30 C29 178.1(3) . .
N2 P2 C31 C32 -31.7(3) . .
C11 P2 C31 C32 -159.8(3) . .
C37 P2 C31 C32 90.4(2) . .
N2 P2 C31 C36 157.9(2) . .
C11 P2 C31 C36 29.8(3) . .
C37 P2 C31 C36 -80.0(2) . .
C36 C31 C32 C33 0.0 . .
P2 C31 C32 C33 -170.4(3) . .
C31 C32 C33 C34 0.0 . .
C32 C33 C34 C35 0.0 . .
C33 C34 C35 C36 0.0 . .
C34 C35 C36 C31 0.0 . .
C32 C31 C36 C35 0.0 . .
P2 C31 C36 C35 170.3(3) . .
N2 P2 C37 C38 -44.7(3) . .
C11 P2 C37 C38 85.9(2) . .
C31 P2 C37 C38 -162.4(2) . .
N2 P2 C37 C42 130.7(3) . .
C11 P2 C37 C42 -98.7(2) . .
C31 P2 C37 C42 13.0(2) . .
C42 C37 C38 C39 0.0 . .
P2 C37 C38 C39 175.4(2) . .
C37 C38 C39 C40 0.0 . .
C38 C39 C40 C41 0.0 . .
C39 C40 C41 C42 0.0 . .
C40 C41 C42 C37 0.0 . .
C38 C37 C42 C41 0.0 . .
P2 C37 C42 C41 -175.3(2) . .
P2 N2 C43 C44 53.1(5) . .
P2 N2 C43 C48 -134.0(3) . .
C48 C43 C44 C45 0.0 . .
N2 C43 C44 C45 172.7(4) . .
C43 C44 C45 C46 0.0 . .
C44 C45 C46 C47 0.0 . .
C45 C46 C47 C48 0.0 . .
C46 C47 C48 C43 0.0 . .
C44 C43 C48 C47 0.0 . .
N2 C43 C48 C47 -173.1(4) . .
C3S C1S C2S C3S 2.8(12) 2_635 .
C1S C2S C3S C1S -2.8(12) . 2_635
