#------------------------------------------------------------------------------
#$Date: 2023-11-06 09:07:43 +0200 (Mon, 06 Nov 2023) $
#$Revision: 287327 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/97/1569729.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_1569729
loop_
_publ_author_name
'Yang, Bo'
'Yan, Suqiong'
'Li, Chengbo'
'Ma, Hui'
'Feng, Fanda'
'Zhang, Yuan'
'Huang, Wei'
_publ_section_title
;
 Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly
 emissive phosphahelicene cation scaffold and modulated circularly
 polarized luminescence.
;
_journal_issue                   38
_journal_name_full               'Chemical science'
_journal_page_first              10446
_journal_page_last               10457
_journal_paper_doi               10.1039/d3sc03201a
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C56 H40 P2'
_chemical_formula_sum            'C56 H40 P2'
_chemical_formula_weight         774.82
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-12-09 deposited with the CCDC.	2023-08-11 downloaded from the CCDC.
;
_cell_angle_alpha                105.202(3)
_cell_angle_beta                 99.249(3)
_cell_angle_gamma                92.305(4)
_cell_formula_units_Z            2
_cell_length_a                   8.1589(6)
_cell_length_b                   13.3454(11)
_cell_length_c                   20.1127(15)
_cell_measurement_reflns_used    9477
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      107.762
_cell_measurement_theta_min      8.082
_cell_volume                     2078.0(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0578
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17502
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.066
_exptl_absorpt_coefficient_mu    0.143
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_description       block
_exptl_crystal_F_000             812
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.457
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7146
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1111P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1513
_refine_ls_wR_factor_ref         0.1723
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5790
_reflns_number_total             7146
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc03201a2.cif
_cod_data_source_block           20220223YBP001_0m
_cod_depositor_comments
'Adding full bibliography for 1569716--1569732.cif.'
_cod_database_code               1569729
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.986
_shelx_estimated_absorpt_t_max   0.989
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4920(2) 0.53365(16) 0.16790(11) 0.0252(5) Uani 1 1 d . . . . .
C2 C 0.6340(2) 0.58298(15) 0.21516(10) 0.0231(4) Uani 1 1 d . . . . .
C3 C 0.7445(2) 0.65228(15) 0.19654(10) 0.0228(4) Uani 1 1 d . . . . .
C4 C 0.8965(2) 0.69945(16) 0.24091(11) 0.0259(5) Uani 1 1 d . . . . .
H4 H 0.9267 0.6848 0.2848 0.031 Uiso 1 1 calc R U . . .
C5 C 0.9997(3) 0.76531(16) 0.22159(11) 0.0273(5) Uani 1 1 d . . . . .
H5 H 1.1016 0.7948 0.2519 0.033 Uiso 1 1 calc R U . . .
C6 C 0.9575(3) 0.79057(16) 0.15700(11) 0.0269(5) Uani 1 1 d . . . . .
C7 C 0.8110(3) 0.74674(16) 0.11385(11) 0.0273(5) Uani 1 1 d . . . . .
H7 H 0.7810 0.7643 0.0709 0.033 Uiso 1 1 calc R U . . .
C8 C 0.7030(2) 0.67599(16) 0.13135(11) 0.0240(4) Uani 1 1 d . . . . .
C9 C 0.5567(2) 0.62532(17) 0.08489(11) 0.0282(5) Uani 1 1 d . . . . .
H39 H 0.5280 0.6402 0.0410 0.034 Uiso 1 1 calc R U . . .
C10 C 0.4560(3) 0.55530(17) 0.10202(11) 0.0279(5) Uani 1 1 d . . . . .
H10 H 0.3604 0.5206 0.0693 0.033 Uiso 1 1 calc R U . . .
C11 C 1.0705(3) 0.86178(17) 0.13625(11) 0.0311(5) Uani 1 1 d . . . . .
C12 C 1.2405(3) 0.84731(19) 0.13971(12) 0.0385(6) Uani 1 1 d . . . . .
H12 H 1.2854 0.7928 0.1573 0.046 Uiso 1 1 calc R U . . .
C13 C 1.3435(3) 0.9127(2) 0.11741(14) 0.0557(8) Uani 1 1 d . . . . .
H13 H 1.4585 0.9021 0.1195 0.067 Uiso 1 1 calc R U . . .
C14 C 1.2811(4) 0.9919(3) 0.09261(15) 0.0646(9) Uani 1 1 d . . . . .
H14 H 1.3528 1.0360 0.0776 0.078 Uiso 1 1 calc R U . . .
C15 C 1.1132(4) 1.0082(2) 0.08917(14) 0.0567(8) Uani 1 1 d . . . . .
H15 H 1.0702 1.0636 0.0722 0.068 Uiso 1 1 calc R U . . .
C16 C 1.0093(3) 0.94338(18) 0.11066(12) 0.0411(6) Uani 1 1 d . . . . .
H16 H 0.8944 0.9544 0.1080 0.049 Uiso 1 1 calc R U . . .
C17 C 0.1768(2) 0.40914(16) 0.12463(11) 0.0261(5) Uani 1 1 d . . . . .
C18 C 0.1275(3) 0.30601(17) 0.08682(11) 0.0293(5) Uani 1 1 d . . . . .
H18 H 0.1959 0.2527 0.0944 0.035 Uiso 1 1 calc R U . . .
C19 C -0.0182(3) 0.28001(18) 0.03883(12) 0.0363(5) Uani 1 1 d . . . . .
H19 H -0.0507 0.2091 0.0143 0.044 Uiso 1 1 calc R U . . .
C20 C -0.1177(3) 0.3568(2) 0.02623(12) 0.0379(6) Uani 1 1 d . . . . .
H20 H -0.2171 0.3390 -0.0077 0.045 Uiso 1 1 calc R U . . .
C21 C -0.0720(3) 0.45985(19) 0.06326(12) 0.0353(5) Uani 1 1 d . . . . .
H21 H -0.1404 0.5128 0.0550 0.042 Uiso 1 1 calc R U . . .
C22 C 0.0735(3) 0.48555(18) 0.11237(11) 0.0320(5) Uani 1 1 d . . . . .
H22 H 0.1034 0.5563 0.1381 0.038 Uiso 1 1 calc R U . . .
C23 C 0.4702(3) 0.33043(17) 0.18426(12) 0.0315(5) Uani 1 1 d . . . . .
C24 C 0.4910(3) 0.28080(19) 0.23766(14) 0.0407(6) Uani 1 1 d . . . . .
H24 H 0.4407 0.3054 0.2777 0.049 Uiso 1 1 calc R U . . .
C25 C 0.5848(3) 0.1956(2) 0.23252(16) 0.0520(7) Uani 1 1 d . . . . .
H25 H 0.5996 0.1629 0.2695 0.062 Uiso 1 1 calc R U . . .
C26 C 0.6565(3) 0.1579(2) 0.17454(16) 0.0509(7) Uani 1 1 d . . . . .
H26 H 0.7211 0.0997 0.1716 0.061 Uiso 1 1 calc R U . . .
C27 C 0.6341(3) 0.2051(2) 0.12061(15) 0.0471(7) Uani 1 1 d . . . . .
H27 H 0.6813 0.1784 0.0800 0.057 Uiso 1 1 calc R U . . .
C28 C 0.5430(3) 0.29113(19) 0.12563(13) 0.0391(6) Uani 1 1 d . . . . .
H28 H 0.5298 0.3238 0.0887 0.047 Uiso 1 1 calc R U . . .
C29 C 0.6684(2) 0.56342(15) 0.28602(10) 0.0234(4) Uani 1 1 d . . . . .
C30 C 0.7801(2) 0.48877(16) 0.29906(10) 0.0243(4) Uani 1 1 d . . . . .
C31 C 0.8706(2) 0.43438(16) 0.24816(11) 0.0272(5) Uani 1 1 d . . . . .
H31 H 0.8590 0.4491 0.2040 0.033 Uiso 1 1 calc R U . . .
C32 C 0.9735(3) 0.36183(17) 0.26132(11) 0.0291(5) Uani 1 1 d . . . . .
H32 H 1.0324 0.3269 0.2262 0.035 Uiso 1 1 calc R U . . .
C33 C 0.9951(2) 0.33690(17) 0.32623(11) 0.0283(5) Uani 1 1 d . . . . .
C34 C 0.9096(3) 0.38887(17) 0.37619(11) 0.0314(5) Uani 1 1 d . . . . .
H34 H 0.9235 0.3732 0.4201 0.038 Uiso 1 1 calc R U . . .
C35 C 0.8014(3) 0.46496(16) 0.36461(11) 0.0274(5) Uani 1 1 d . . . . .
C36 C 0.7112(3) 0.51783(17) 0.41562(11) 0.0325(5) Uani 1 1 d . . . . .
H36 H 0.7216 0.5015 0.4593 0.039 Uiso 1 1 calc R U . . .
C37 C 0.6092(3) 0.59195(17) 0.40313(11) 0.0308(5) Uani 1 1 d . . . . .
H37 H 0.5514 0.6271 0.4386 0.037 Uiso 1 1 calc R U . . .
C38 C 0.5877(2) 0.61753(16) 0.33854(11) 0.0258(5) Uani 1 1 d . . . . .
C39 C 1.1077(3) 0.25578(18) 0.33800(12) 0.0308(5) Uani 1 1 d . . . . .
C40 C 1.1994(3) 0.2634(2) 0.40342(14) 0.0526(7) Uani 1 1 d . . . . .
H40 H 1.1891 0.3209 0.4416 0.063 Uiso 1 1 calc R U . . .
C41 C 1.3056(4) 0.1893(2) 0.41428(15) 0.0636(9) Uani 1 1 d . . . . .
H41 H 1.3674 0.1959 0.4597 0.076 Uiso 1 1 calc R U . . .
C42 C 1.3224(3) 0.1057(2) 0.35937(15) 0.0526(7) Uani 1 1 d . . . . .
H42 H 1.3970 0.0552 0.3667 0.063 Uiso 1 1 calc R U . . .
C43 C 1.2320(3) 0.09547(19) 0.29460(14) 0.0407(6) Uani 1 1 d . . . . .
H43 H 1.2428 0.0375 0.2568 0.049 Uiso 1 1 calc R U . . .
C44 C 1.1241(3) 0.16946(18) 0.28373(12) 0.0347(5) Uani 1 1 d . . . . .
H44 H 1.0603 0.1611 0.2385 0.042 Uiso 1 1 calc R U . . .
C45 C 0.6221(3) 0.82668(17) 0.33819(12) 0.0315(5) Uani 1 1 d . . . . .
C46 C 0.7630(3) 0.84131(18) 0.39037(12) 0.0352(5) Uani 1 1 d . . . . .
H46 H 0.7722 0.7982 0.4214 0.042 Uiso 1 1 calc R U . . .
C47 C 0.8895(3) 0.91764(19) 0.39756(14) 0.0438(6) Uani 1 1 d . . . . .
H47 H 0.9842 0.9268 0.4335 0.053 Uiso 1 1 calc R U . . .
C48 C 0.8785(4) 0.98067(19) 0.35261(16) 0.0503(7) Uani 1 1 d . . . . .
H48 H 0.9658 1.0327 0.3574 0.060 Uiso 1 1 calc R U . . .
C49 C 0.7416(4) 0.9676(2) 0.30138(15) 0.0517(7) Uani 1 1 d . . . . .
H49 H 0.7340 1.0110 0.2706 0.062 Uiso 1 1 calc R U . . .
C50 C 0.6136(3) 0.8919(2) 0.29368(13) 0.0426(6) Uani 1 1 d . . . . .
H50 H 0.5190 0.8841 0.2578 0.051 Uiso 1 1 calc R U . . .
C51 C 0.3505(3) 0.75145(17) 0.39352(11) 0.0306(5) Uani 1 1 d . . . . .
C52 C 0.3777(3) 0.84539(18) 0.44590(12) 0.0341(5) Uani 1 1 d . . . . .
H52 H 0.4598 0.8971 0.4446 0.041 Uiso 1 1 calc R U . . .
C53 C 0.2872(3) 0.8643(2) 0.49961(13) 0.0417(6) Uani 1 1 d . . . . .
H53 H 0.3077 0.9286 0.5351 0.050 Uiso 1 1 calc R U . . .
C54 C 0.1673(3) 0.7904(2) 0.50184(13) 0.0449(6) Uani 1 1 d . . . . .
H54 H 0.1065 0.8031 0.5393 0.054 Uiso 1 1 calc R U . . .
C55 C 0.1351(3) 0.6975(2) 0.44957(13) 0.0437(6) Uani 1 1 d . . . . .
H55 H 0.0513 0.6469 0.4509 0.052 Uiso 1 1 calc R U . . .
C56 C 0.2245(3) 0.67825(19) 0.39547(13) 0.0393(6) Uani 1 1 d . . . . .
H56 H 0.2005 0.6148 0.3593 0.047 Uiso 1 1 calc R U . . .
P1 P 0.35473(7) 0.44702(4) 0.19711(3) 0.02724(18) Uani 1 1 d . . . . .
P2 P 0.45819(7) 0.71930(4) 0.31851(3) 0.02894(18) Uani 1 1 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'
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
_geom_angle_publ_flag
C2 C1 C10 119.39(19) . . ?
C2 C1 P1 117.09(15) . . ?
C10 C1 P1 123.46(16) . . ?
C1 C2 C3 120.15(18) . . ?
C1 C2 C29 119.38(18) . . ?
C3 C2 C29 120.47(17) . . ?
C8 C3 C4 117.97(18) . . ?
C8 C3 C2 119.54(18) . . ?
C4 C3 C2 122.49(18) . . ?
C5 C4 C3 121.12(19) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C4 C5 C6 121.14(19) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C7 C6 C5 118.61(19) . . ?
C7 C6 C11 120.55(19) . . ?
C5 C6 C11 120.83(19) . . ?
C6 C7 C8 121.80(19) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 H7 119.1 . . ?
C9 C8 C7 121.96(19) . . ?
C9 C8 C3 118.69(18) . . ?
C7 C8 C3 119.32(19) . . ?
C10 C9 C8 121.12(19) . . ?
C10 C9 H39 119.4 . . ?
C8 C9 H39 119.4 . . ?
C9 C10 C1 120.96(19) . . ?
C9 C10 H10 119.5 . . ?
C1 C10 H10 119.5 . . ?
C16 C11 C12 118.3(2) . . ?
C16 C11 C6 120.8(2) . . ?
C12 C11 C6 120.9(2) . . ?
C13 C12 C11 120.0(2) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 C12 120.7(3) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 120.3(3) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 119.6(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C11 121.1(2) . . ?
C15 C16 H16 119.5 . . ?
C11 C16 H16 119.5 . . ?
C18 C17 C22 117.93(19) . . ?
C18 C17 P1 123.27(16) . . ?
C22 C17 P1 118.30(16) . . ?
C19 C18 C17 121.3(2) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C20 120.1(2) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C19 C20 C21 119.8(2) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C22 C21 C20 119.9(2) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C17 121.0(2) . . ?
C21 C22 H22 119.5 . . ?
C17 C22 H22 119.5 . . ?
C28 C23 C24 118.5(2) . . ?
C28 C23 P1 123.85(17) . . ?
C24 C23 P1 117.64(18) . . ?
C25 C24 C23 120.2(2) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C26 C25 C24 120.7(2) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C25 C26 C27 119.6(2) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C26 C27 C28 120.2(3) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C23 120.8(2) . . ?
C27 C28 H28 119.6 . . ?
C23 C28 H28 119.6 . . ?
C38 C29 C30 120.23(18) . . ?
C38 C29 C2 119.36(17) . . ?
C30 C29 C2 120.40(17) . . ?
C31 C30 C35 117.70(18) . . ?
C31 C30 C29 122.48(18) . . ?
C35 C30 C29 119.81(18) . . ?
C32 C31 C30 121.35(19) . . ?
C32 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
C31 C32 C33 121.54(19) . . ?
C31 C32 H32 119.2 . . ?
C33 C32 H32 119.2 . . ?
C34 C33 C32 118.05(19) . . ?
C34 C33 C39 122.30(19) . . ?
C32 C33 C39 119.65(19) . . ?
C33 C34 C35 122.18(19) . . ?
C33 C34 H34 118.9 . . ?
C35 C34 H34 118.9 . . ?
C34 C35 C36 122.42(19) . . ?
C34 C35 C30 119.19(19) . . ?
C36 C35 C30 118.39(18) . . ?
C37 C36 C35 121.00(19) . . ?
C37 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C36 C37 C38 121.45(19) . . ?
C36 C37 H37 119.3 . . ?
C38 C37 H37 119.3 . . ?
C29 C38 C37 118.98(18) . . ?
C29 C38 P2 116.82(15) . . ?
C37 C38 P2 124.20(16) . . ?
C40 C39 C44 117.6(2) . . ?
C40 C39 C33 121.1(2) . . ?
C44 C39 C33 121.35(19) . . ?
C41 C40 C39 121.2(2) . . ?
C41 C40 H40 119.4 . . ?
C39 C40 H40 119.4 . . ?
C40 C41 C42 120.1(2) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C43 C42 C41 119.9(2) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C42 C43 C44 120.1(2) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C39 121.1(2) . . ?
C43 C44 H44 119.4 . . ?
C39 C44 H44 119.4 . . ?
C46 C45 C50 117.6(2) . . ?
C46 C45 P2 124.23(17) . . ?
C50 C45 P2 117.83(18) . . ?
C47 C46 C45 121.0(2) . . ?
C47 C46 H46 119.5 . . ?
C45 C46 H46 119.5 . . ?
C48 C47 C46 120.3(3) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C49 C48 C47 119.6(3) . . ?
C49 C48 H48 120.2 . . ?
C47 C48 H48 120.2 . . ?
C48 C49 C50 120.9(2) . . ?
C48 C49 H49 119.6 . . ?
C50 C49 H49 119.6 . . ?
C49 C50 C45 120.7(2) . . ?
C49 C50 H50 119.7 . . ?
C45 C50 H50 119.7 . . ?
C52 C51 C56 118.2(2) . . ?
C52 C51 P2 124.75(18) . . ?
C56 C51 P2 116.96(17) . . ?
C53 C52 C51 120.9(2) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C54 C53 C52 120.2(2) . . ?
C54 C53 H53 119.9 . . ?
C52 C53 H53 119.9 . . ?
C53 C54 C55 120.0(2) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
C56 C55 C54 120.1(2) . . ?
C56 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
C55 C56 C51 120.5(2) . . ?
C55 C56 H56 119.7 . . ?
C51 C56 H56 119.7 . . ?
C23 P1 C17 102.79(10) . . ?
C23 P1 C1 100.07(9) . . ?
C17 P1 C1 103.24(9) . . ?
C51 P2 C45 104.03(10) . . ?
C51 P2 C38 101.59(9) . . ?
C45 P2 C38 98.95(9) . . ?
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 1.391(3) . ?
C1 C10 1.417(3) . ?
C1 P1 1.844(2) . ?
C2 C3 1.425(3) . ?
C2 C29 1.500(3) . ?
C3 C8 1.420(3) . ?
C3 C4 1.420(3) . ?
C4 C5 1.363(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.420(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.367(3) . ?
C6 C11 1.479(3) . ?
C7 C8 1.414(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.414(3) . ?
C9 C10 1.366(3) . ?
C9 H39 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.398(3) . ?
C11 C12 1.401(3) . ?
C12 C13 1.392(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.365(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.389(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.394(3) . ?
C17 C22 1.395(3) . ?
C17 P1 1.833(2) . ?
C18 C19 1.374(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.382(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.394(3) . ?
C23 C24 1.394(3) . ?
C23 P1 1.833(2) . ?
C24 C25 1.387(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.375(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.383(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.383(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C38 1.390(3) . ?
C29 C30 1.423(3) . ?
C30 C31 1.420(3) . ?
C30 C35 1.421(3) . ?
C31 C32 1.356(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.416(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.370(3) . ?
C33 C39 1.489(3) . ?
C34 C35 1.412(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.413(3) . ?
C36 C37 1.365(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.414(3) . ?
C37 H37 0.9500 . ?
C38 P2 1.841(2) . ?
C39 C40 1.382(3) . ?
C39 C44 1.392(3) . ?
C40 C41 1.377(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.378(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.360(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.385(3) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.396(3) . ?
C45 C50 1.399(3) . ?
C45 P2 1.837(2) . ?
C46 C47 1.383(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.383(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.364(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.385(4) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.393(3) . ?
C51 C56 1.402(3) . ?
C51 P2 1.830(2) . ?
C52 C53 1.381(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.376(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.383(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.381(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
