#------------------------------------------------------------------------------
#$Date: 2025-08-19 00:06:14 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301780 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/28/1552872.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_1552872
loop_
_publ_author_name
'Schwarz, Christopher'
'Handelmann, Jens'
'Baier, Daniel M.'
'Ouissa, Alina'
'Gessner, Viktoria H.'
_publ_section_title
;
 Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand
 Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations
;
_journal_name_full               'Catalysis Science & Technology'
_journal_paper_doi               10.1039/C9CY01861A
_journal_year                    2019
_chemical_formula_moiety         'C60 H45 N3 P4'
_chemical_formula_sum            'C60 H45 N3 P4'
_chemical_formula_weight         931.87
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-07-26 deposited with the CCDC.	2019-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   35.1836(7)
_cell_length_b                   35.1836(7)
_cell_length_c                   9.7068(2)
_cell_measurement_reflns_used    8302
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      73.7200
_cell_measurement_theta_min      3.8180
_cell_volume                     10406.1(4)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'SHELXLE-2018 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4409
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0667
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            24302
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.968
_diffrn_reflns_theta_min         3.838
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.650
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_description       needle
_exptl_crystal_F_000             3888
_exptl_crystal_size_max          0.143
_exptl_crystal_size_mid          0.103
_exptl_crystal_size_min          0.031
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.292
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     806
_refine_ls_number_reflns         13078
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0426
_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)+(0.0633P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1112
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11575
_reflns_number_total             13078
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cy01861a2.cif
_cod_data_source_block           CS007_sq
_cod_original_cell_volume        10406.1(5)
_cod_database_code               1552872
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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
P1 P 0.33807(2) 0.31949(2) 0.79592(6) 0.02096(14) Uani 1 1 d . . .
P2 P 0.31962(3) 0.22406(2) 0.80079(7) 0.02639(15) Uani 1 1 d . . .
P3 P 0.25826(2) 0.33207(2) 0.80908(7) 0.02398(14) Uani 1 1 d . . .
P4 P 0.43094(2) 0.40107(2) 0.78832(6) 0.02082(14) Uani 1 1 d . . .
P5 P 0.333333 0.666667 0.60306(11) 0.0167(2) Uani 1 3 d S T P
P6 P 0.36243(2) 0.59830(2) 0.60668(6) 0.01857(13) Uani 1 1 d . . .
N1 N 0.28413(10) 0.24648(10) 0.4766(3) 0.0348(6) Uani 1 1 d . . .
N2 N 0.31460(9) 0.37055(9) 0.4793(2) 0.0311(6) Uani 1 1 d . . .
N3 N 0.40893(8) 0.33339(9) 0.4798(2) 0.0295(5) Uani 1 1 d . . .
N4 N 0.39217(9) 0.66067(9) 0.2793(2) 0.0298(5) Uani 1 1 d . . .
C1 C 0.32055(10) 0.26692(10) 0.7140(3) 0.0256(6) Uani 1 1 d . . .
C2 C 0.30146(10) 0.25647(10) 0.5824(3) 0.0282(6) Uani 1 1 d . . .
C3 C 0.34486(11) 0.19912(11) 0.7001(3) 0.0307(6) Uani 1 1 d . . .
C4 C 0.37882(12) 0.22661(11) 0.6104(3) 0.0358(7) Uani 1 1 d . . .
H4 H 0.387122 0.256674 0.601496 0.043 Uiso 1 1 calc R U .
C5 C 0.40011(13) 0.20943(13) 0.5350(3) 0.0407(8) Uani 1 1 d . . .
H5 H 0.423478 0.227830 0.474970 0.049 Uiso 1 1 calc R U .
C6 C 0.38733(13) 0.16532(12) 0.5471(3) 0.0393(8) Uani 1 1 d . . .
H6 H 0.401642 0.153539 0.493723 0.047 Uiso 1 1 calc R U .
C7 C 0.35444(13) 0.13879(12) 0.6348(3) 0.0396(8) Uani 1 1 d . . .
H7 H 0.346336 0.108772 0.643310 0.047 Uiso 1 1 calc R U .
C8 C 0.33270(13) 0.15526(11) 0.7117(3) 0.0366(7) Uani 1 1 d . . .
H8 H 0.309567 0.136549 0.771953 0.044 Uiso 1 1 calc R U .
C9 C 0.26523(11) 0.17975(11) 0.8485(3) 0.0336(7) Uani 1 1 d . . .
C10 C 0.22886(13) 0.17450(13) 0.7750(4) 0.0459(8) Uani 1 1 d . . .
H10 H 0.232729 0.193468 0.700004 0.055 Uiso 1 1 calc R U .
C11 C 0.18720(15) 0.14172(16) 0.8110(5) 0.0625(12) Uani 1 1 d . . .
H11 H 0.162605 0.138100 0.759671 0.075 Uiso 1 1 calc R U .
C12 C 0.18096(16) 0.11442(15) 0.9197(5) 0.0660(13) Uani 1 1 d . . .
H12 H 0.152162 0.092112 0.943842 0.079 Uiso 1 1 calc R U .
C13 C 0.21700(16) 0.11941(14) 0.9950(5) 0.0595(11) Uani 1 1 d . . .
H13 H 0.212854 0.100648 1.070803 0.071 Uiso 1 1 calc R U .
C14 C 0.25935(14) 0.15233(12) 0.9578(4) 0.0478(9) Uani 1 1 d . . .
H14 H 0.284039 0.155736 1.008008 0.057 Uiso 1 1 calc R U .
C15 C 0.34962(11) 0.24266(10) 0.9599(3) 0.0286(6) Uani 1 1 d . . .
C16 C 0.33023(12) 0.25184(11) 1.0717(3) 0.0344(7) Uani 1 1 d . . .
H16 H 0.301844 0.248531 1.062469 0.041 Uiso 1 1 calc R U .
C17 C 0.35248(12) 0.26566(11) 1.1949(3) 0.0349(7) Uani 1 1 d . . .
H17 H 0.339829 0.272751 1.269940 0.042 Uiso 1 1 calc R U .
C18 C 0.39329(12) 0.26922(11) 1.2091(3) 0.0352(7) Uani 1 1 d . . .
H18 H 0.408177 0.277891 1.294980 0.042 Uiso 1 1 calc R U .
C19 C 0.41225(12) 0.26035(12) 1.1004(4) 0.0411(8) Uani 1 1 d . . .
H19 H 0.440467 0.263312 1.110524 0.049 Uiso 1 1 calc R U .
C20 C 0.39031(11) 0.24693(11) 0.9747(3) 0.0352(7) Uani 1 1 d . . .
H20 H 0.403576 0.240757 0.899276 0.042 Uiso 1 1 calc R U .
C21 C 0.30149(9) 0.33534(9) 0.7170(3) 0.0230(5) Uani 1 1 d . . .
C22 C 0.30840(9) 0.35382(10) 0.5866(3) 0.0255(6) Uani 1 1 d . . .
C23 C 0.24802(10) 0.29950(10) 0.9637(3) 0.0273(6) Uani 1 1 d . . .
C24 C 0.27322(11) 0.31852(11) 1.0819(3) 0.0326(6) Uani 1 1 d . . .
H24 H 0.295677 0.348472 1.081266 0.039 Uiso 1 1 calc R U .
C25 C 0.26539(11) 0.29374(12) 1.1991(3) 0.0350(7) Uani 1 1 d . . .
H25 H 0.282431 0.306713 1.279408 0.042 Uiso 1 1 calc R U .
C26 C 0.23285(12) 0.25001(13) 1.2009(3) 0.0392(7) Uani 1 1 d . . .
H26 H 0.227244 0.233102 1.282474 0.047 Uiso 1 1 calc R U .
C27 C 0.20874(12) 0.23127(13) 1.0839(4) 0.0449(8) Uani 1 1 d . . .
H27 H 0.186799 0.201113 1.083863 0.054 Uiso 1 1 calc R U .
C28 C 0.21636(12) 0.25631(12) 0.9652(3) 0.0386(7) Uani 1 1 d . . .
H28 H 0.199390 0.243205 0.884856 0.046 Uiso 1 1 calc R U .
C29 C 0.20786(10) 0.30592(10) 0.7084(3) 0.0281(6) Uani 1 1 d . . .
C30 C 0.20311(11) 0.27419(11) 0.6144(3) 0.0337(7) Uani 1 1 d . . .
H30 H 0.226268 0.268106 0.600356 0.040 Uiso 1 1 calc R U .
C31 C 0.16410(12) 0.25131(13) 0.5407(4) 0.0412(8) Uani 1 1 d . . .
H31 H 0.160135 0.228868 0.478021 0.049 Uiso 1 1 calc R U .
C32 C 0.13100(11) 0.26143(13) 0.5591(3) 0.0403(8) Uani 1 1 d . . .
H32 H 0.104574 0.246061 0.507778 0.048 Uiso 1 1 calc R U .
C33 C 0.13606(11) 0.29365(13) 0.6515(3) 0.0376(7) Uani 1 1 d . . .
H33 H 0.113338 0.300495 0.663306 0.045 Uiso 1 1 calc R U .
C34 C 0.17490(11) 0.31595(12) 0.7269(3) 0.0322(7) Uani 1 1 d . . .
H34 H 0.178691 0.337998 0.790976 0.039 Uiso 1 1 calc R U .
C35 C 0.26710(10) 0.38505(11) 0.8660(3) 0.0294(6) Uani 1 1 d . . .
C36 C 0.24598(11) 0.38939(12) 0.9805(3) 0.0364(7) Uani 1 1 d . . .
H36 H 0.224561 0.364047 1.027924 0.044 Uiso 1 1 calc R U .
C37 C 0.25625(12) 0.43095(13) 1.0258(4) 0.0411(8) Uani 1 1 d . . .
H37 H 0.241678 0.433788 1.104127 0.049 Uiso 1 1 calc R U .
C38 C 0.28703(14) 0.46778(13) 0.9591(3) 0.0430(9) Uani 1 1 d . . .
H38 H 0.294442 0.496061 0.992303 0.052 Uiso 1 1 calc R U .
C39 C 0.30729(16) 0.46351(13) 0.8427(4) 0.0488(9) Uani 1 1 d . . .
H39 H 0.327644 0.488926 0.793294 0.059 Uiso 1 1 calc R U .
C40 C 0.29815(13) 0.42272(11) 0.7982(3) 0.0384(8) Uani 1 1 d . . .
H40 H 0.313166 0.420233 0.720448 0.046 Uiso 1 1 calc R U .
C41 C 0.39020(9) 0.35485(9) 0.7104(3) 0.0233(6) Uani 1 1 d . . .
C42 C 0.40027(9) 0.34370(9) 0.5832(3) 0.0216(5) Uani 1 1 d . . .
C43 C 0.48141(10) 0.39844(10) 0.8032(3) 0.0259(6) Uani 1 1 d . . .
C44 C 0.52320(11) 0.43561(12) 0.8109(3) 0.0350(7) Uani 1 1 d . . .
H44 H 0.526326 0.464041 0.811734 0.042 Uiso 1 1 calc R U .
C45 C 0.56019(11) 0.43102(14) 0.8173(3) 0.0412(8) Uani 1 1 d . . .
H45 H 0.588516 0.456382 0.822175 0.049 Uiso 1 1 calc R U .
C46 C 0.55608(12) 0.39007(14) 0.8167(3) 0.0433(9) Uani 1 1 d . . .
H46 H 0.581384 0.387039 0.822703 0.052 Uiso 1 1 calc R U .
C47 C 0.51538(13) 0.35383(14) 0.8073(4) 0.0467(9) Uani 1 1 d . . .
H47 H 0.512642 0.325573 0.805130 0.056 Uiso 1 1 calc R U .
C48 C 0.47769(12) 0.35740(11) 0.8009(3) 0.0358(7) Uani 1 1 d . . .
H48 H 0.449591 0.331760 0.794981 0.043 Uiso 1 1 calc R U .
C49 C 0.44640(10) 0.45243(10) 0.6996(3) 0.0255(6) Uani 1 1 d . . .
C50 C 0.47391(11) 0.49264(10) 0.7619(3) 0.0298(6) Uani 1 1 d . . .
H50 H 0.484091 0.493468 0.853092 0.036 Uiso 1 1 calc R U .
C51 C 0.48658(11) 0.53158(11) 0.6918(3) 0.0349(7) Uani 1 1 d . . .
H51 H 0.505863 0.558954 0.734047 0.042 Uiso 1 1 calc R U .
C52 C 0.47088(11) 0.53025(11) 0.5595(4) 0.0351(7) Uani 1 1 d . . .
H52 H 0.479216 0.556741 0.511053 0.042 Uiso 1 1 calc R U .
C53 C 0.44309(10) 0.49022(11) 0.4985(3) 0.0324(7) Uani 1 1 d . . .
H53 H 0.432402 0.489351 0.408012 0.039 Uiso 1 1 calc R U .
C54 C 0.43059(10) 0.45111(10) 0.5688(3) 0.0274(6) Uani 1 1 d . . .
H54 H 0.411285 0.423729 0.526621 0.033 Uiso 1 1 calc R U .
C55 C 0.41285(9) 0.40665(10) 0.9567(3) 0.0254(6) Uani 1 1 d . . .
C56 C 0.41420(10) 0.38190(10) 1.0657(3) 0.0287(6) Uani 1 1 d . . .
H56 H 0.426751 0.363686 1.053667 0.034 Uiso 1 1 calc R U .
C57 C 0.39706(11) 0.38391(11) 1.1930(3) 0.0329(7) Uani 1 1 d . . .
H57 H 0.398022 0.367150 1.268251 0.039 Uiso 1 1 calc R U .
C58 C 0.37842(11) 0.41060(11) 1.2101(3) 0.0344(7) Uani 1 1 d . . .
H58 H 0.366956 0.412149 1.297183 0.041 Uiso 1 1 calc R U .
C59 C 0.37663(12) 0.43467(12) 1.1007(3) 0.0380(7) Uani 1 1 d . . .
H59 H 0.363532 0.452410 1.112325 0.046 Uiso 1 1 calc R U .
C60 C 0.39399(11) 0.43305(11) 0.9734(3) 0.0318(6) Uani 1 1 d . . .
H60 H 0.392984 0.449837 0.898269 0.038 Uiso 1 1 calc R U .
C61 C 0.35832(9) 0.63842(9) 0.5200(3) 0.0189(5) Uani 1 1 d . . .
C62 C 0.37639(9) 0.64986(9) 0.3871(3) 0.0219(5) Uani 1 1 d . . .
C63 C 0.41750(9) 0.61291(9) 0.6606(3) 0.0227(5) Uani 1 1 d . . .
C64 C 0.42679(10) 0.59815(10) 0.7824(3) 0.0253(6) Uani 1 1 d . . .
H64 H 0.403711 0.579335 0.842691 0.030 Uiso 1 1 calc R U .
C65 C 0.47020(10) 0.61121(10) 0.8150(3) 0.0279(6) Uani 1 1 d . . .
H65 H 0.476779 0.601756 0.898815 0.034 Uiso 1 1 calc R U .
C66 C 0.50381(10) 0.63792(10) 0.7258(3) 0.0300(6) Uani 1 1 d . . .
H66 H 0.533316 0.646560 0.748468 0.036 Uiso 1 1 calc R U .
C67 C 0.49455(10) 0.65210(10) 0.6036(3) 0.0291(6) Uani 1 1 d . . .
H67 H 0.517541 0.669720 0.541350 0.035 Uiso 1 1 calc R U .
C68 C 0.45190(10) 0.64052(10) 0.5729(3) 0.0265(6) Uani 1 1 d . . .
H68 H 0.445758 0.651391 0.491351 0.032 Uiso 1 1 calc R U .
C69 C 0.34449(9) 0.55004(9) 0.4997(3) 0.0228(5) Uani 1 1 d . . .
C70 C 0.35886(10) 0.52027(10) 0.5237(3) 0.0279(6) Uani 1 1 d . . .
H70 H 0.379681 0.525744 0.594357 0.033 Uiso 1 1 calc R U .
C71 C 0.34265(11) 0.48250(11) 0.4440(3) 0.0323(7) Uani 1 1 d . . .
H71 H 0.351846 0.461755 0.461584 0.039 Uiso 1 1 calc R U .
C72 C 0.31310(11) 0.47510(10) 0.3390(3) 0.0333(7) Uani 1 1 d . . .
H72 H 0.302165 0.449317 0.284458 0.040 Uiso 1 1 calc R U .
C73 C 0.29944(11) 0.50500(11) 0.3133(3) 0.0353(7) Uani 1 1 d . . .
H73 H 0.279409 0.499946 0.240470 0.042 Uiso 1 1 calc R U .
C74 C 0.31506(10) 0.54259(10) 0.3941(3) 0.0299(6) Uani 1 1 d . . .
H74 H 0.305550 0.563104 0.376833 0.036 Uiso 1 1 calc R U .
C75 C 0.32760(9) 0.58309(8) 0.7570(3) 0.0201(5) Uani 1 1 d . . .
C76 C 0.34355(9) 0.60528(9) 0.8812(3) 0.0241(6) Uani 1 1 d . . .
H76 H 0.373630 0.627085 0.889099 0.029 Uiso 1 1 calc R U .
C77 C 0.31593(10) 0.59580(10) 0.9931(3) 0.0251(6) Uani 1 1 d . . .
H77 H 0.326984 0.610654 1.078149 0.030 Uiso 1 1 calc R U .
C78 C 0.27174(10) 0.56425(10) 0.9800(3) 0.0266(6) Uani 1 1 d . . .
H78 H 0.252593 0.557443 1.056563 0.032 Uiso 1 1 calc R U .
C79 C 0.25575(10) 0.54298(10) 0.8570(3) 0.0276(6) Uani 1 1 d . . .
H79 H 0.225429 0.521996 0.848524 0.033 Uiso 1 1 calc R U .
C80 C 0.28343(9) 0.55176(10) 0.7445(3) 0.0249(6) Uani 1 1 d . . .
H80 H 0.272265 0.536529 0.660092 0.030 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
C21 P1 C1 101.39(13) . .
C21 P1 C41 103.03(13) . .
C1 P1 C41 102.08(13) . .
C1 P2 C15 110.62(14) . .
C1 P2 C3 111.24(14) . .
C15 P2 C3 107.35(14) . .
C1 P2 C9 115.30(15) . .
C15 P2 C9 105.49(14) . .
C3 P2 C9 106.36(15) . .
C21 P3 C23 111.27(13) . .
C21 P3 C35 113.45(14) . .
C23 P3 C35 105.98(14) . .
C21 P3 C29 111.15(13) . .
C23 P3 C29 106.83(14) . .
C35 P3 C29 107.80(14) . .
C41 P4 C55 109.29(13) . .
C41 P4 C49 115.19(13) . .
C55 P4 C49 105.52(13) . .
C41 P4 C43 111.05(14) . .
C55 P4 C43 109.82(13) . .
C49 P4 C43 105.74(14) . .
C61 P5 C61 101.73(10) 3_565 2_665
C61 P5 C61 101.72(10) 3_565 .
C61 P5 C61 101.73(10) 2_665 .
C61 P6 C75 108.49(12) . .
C61 P6 C69 110.96(13) . .
C75 P6 C69 108.55(12) . .
C61 P6 C63 115.26(13) . .
C75 P6 C63 108.72(12) . .
C69 P6 C63 104.64(13) . .
C2 C1 P2 114.9(2) . .
C2 C1 P1 122.7(2) . .
P2 C1 P1 121.95(16) . .
N1 C2 C1 177.1(4) . .
C8 C3 C4 120.1(3) . .
C8 C3 P2 122.8(3) . .
C4 C3 P2 117.1(2) . .
C5 C4 C3 119.2(3) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C4 C5 C6 120.0(4) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C7 C6 C5 120.6(3) . .
C7 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
C6 C7 C8 120.5(3) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
C3 C8 C7 119.7(3) . .
C3 C8 H8 120.2 . .
C7 C8 H8 120.2 . .
C14 C9 C10 119.6(3) . .
C14 C9 P2 121.3(3) . .
C10 C9 P2 119.0(3) . .
C11 C10 C9 120.1(4) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C12 C11 C10 120.8(4) . .
C12 C11 H11 119.6 . .
C10 C11 H11 119.6 . .
C11 C12 C13 119.9(4) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C12 C13 C14 119.5(4) . .
C12 C13 H13 120.3 . .
C14 C13 H13 120.3 . .
C9 C14 C13 120.1(4) . .
C9 C14 H14 119.9 . .
C13 C14 H14 119.9 . .
C20 C15 C16 119.7(3) . .
C20 C15 P2 121.4(2) . .
C16 C15 P2 118.9(2) . .
C17 C16 C15 119.8(3) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
C16 C17 C18 119.9(3) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C19 C18 C17 120.4(3) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 120.2(3) . .
C18 C19 H19 119.9 . .
C20 C19 H19 119.9 . .
C15 C20 C19 120.0(3) . .
C15 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C22 C21 P3 116.6(2) . .
C22 C21 P1 123.1(2) . .
P3 C21 P1 120.13(15) . .
N2 C22 C21 177.9(3) . .
C28 C23 C24 119.5(3) . .
C28 C23 P3 120.5(2) . .
C24 C23 P3 119.9(2) . .
C25 C24 C23 119.8(3) . .
C25 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
C24 C25 C26 120.5(3) . .
C24 C25 H25 119.7 . .
C26 C25 H25 119.7 . .
C27 C26 C25 119.5(3) . .
C27 C26 H26 120.3 . .
C25 C26 H26 120.3 . .
C26 C27 C28 120.2(3) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C23 C28 C27 120.4(3) . .
C23 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C34 C29 C30 120.9(3) . .
C34 C29 P3 122.0(2) . .
C30 C29 P3 117.1(2) . .
C29 C30 C31 119.4(3) . .
C29 C30 H30 120.3 . .
C31 C30 H30 120.3 . .
C32 C31 C30 119.7(3) . .
C32 C31 H31 120.1 . .
C30 C31 H31 120.1 . .
C33 C32 C31 120.8(3) . .
C33 C32 H32 119.6 . .
C31 C32 H32 119.6 . .
C32 C33 C34 119.2(3) . .
C32 C33 H33 120.4 . .
C34 C33 H33 120.4 . .
C29 C34 C33 119.9(3) . .
C29 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C36 C35 C40 118.9(3) . .
C36 C35 P3 122.0(3) . .
C40 C35 P3 119.0(2) . .
C35 C36 C37 119.8(3) . .
C35 C36 H36 120.1 . .
C37 C36 H36 120.1 . .
C38 C37 C36 120.9(3) . .
C38 C37 H37 119.5 . .
C36 C37 H37 119.5 . .
C37 C38 C39 119.4(3) . .
C37 C38 H38 120.3 . .
C39 C38 H38 120.3 . .
C40 C39 C38 120.4(4) . .
C40 C39 H39 119.8 . .
C38 C39 H39 119.8 . .
C39 C40 C35 120.6(3) . .
C39 C40 H40 119.7 . .
C35 C40 H40 119.7 . .
C42 C41 P4 116.6(2) . .
C42 C41 P1 121.5(2) . .
P4 C41 P1 121.72(16) . .
N3 C42 C41 177.6(3) . .
C48 C43 C44 118.9(3) . .
C48 C43 P4 117.6(2) . .
C44 C43 P4 123.4(2) . .
C45 C44 C43 120.1(3) . .
C45 C44 H44 120.0 . .
C43 C44 H44 120.0 . .
C46 C45 C44 120.5(4) . .
C46 C45 H45 119.7 . .
C44 C45 H45 119.7 . .
C47 C46 C45 119.4(3) . .
C47 C46 H46 120.3 . .
C45 C46 H46 120.3 . .
C46 C47 C48 121.3(3) . .
C46 C47 H47 119.3 . .
C48 C47 H47 119.3 . .
C43 C48 C47 119.7(3) . .
C43 C48 H48 120.2 . .
C47 C48 H48 120.2 . .
C54 C49 C50 119.9(3) . .
C54 C49 P4 119.1(2) . .
C50 C49 P4 120.9(2) . .
C51 C50 C49 120.5(3) . .
C51 C50 H50 119.8 . .
C49 C50 H50 119.8 . .
C50 C51 C52 119.6(3) . .
C50 C51 H51 120.2 . .
C52 C51 H51 120.2 . .
C53 C52 C51 119.8(3) . .
C53 C52 H52 120.1 . .
C51 C52 H52 120.1 . .
C52 C53 C54 120.6(3) . .
C52 C53 H53 119.7 . .
C54 C53 H53 119.7 . .
C49 C54 C53 119.6(3) . .
C49 C54 H54 120.2 . .
C53 C54 H54 120.2 . .
C56 C55 C60 120.4(3) . .
C56 C55 P4 120.0(2) . .
C60 C55 P4 119.4(2) . .
C55 C56 C57 119.6(3) . .
C55 C56 H56 120.2 . .
C57 C56 H56 120.2 . .
C56 C57 C58 120.0(3) . .
C56 C57 H57 120.0 . .
C58 C57 H57 120.0 . .
C59 C58 C57 120.1(3) . .
C59 C58 H58 119.9 . .
C57 C58 H58 119.9 . .
C58 C59 C60 120.2(3) . .
C58 C59 H59 119.9 . .
C60 C59 H59 119.9 . .
C59 C60 C55 119.7(3) . .
C59 C60 H60 120.2 . .
C55 C60 H60 120.2 . .
C62 C61 P6 118.36(19) . .
C62 C61 P5 121.69(19) . .
P6 C61 P5 119.89(14) . .
N4 C62 C61 177.7(3) . .
C64 C63 C68 119.5(3) . .
C64 C63 P6 123.7(2) . .
C68 C63 P6 116.8(2) . .
C65 C64 C63 119.5(3) . .
C65 C64 H64 120.3 . .
C63 C64 H64 120.3 . .
C66 C65 C64 120.3(3) . .
C66 C65 H65 119.8 . .
C64 C65 H65 119.8 . .
C65 C66 C67 120.3(3) . .
C65 C66 H66 119.9 . .
C67 C66 H66 119.9 . .
C68 C67 C66 119.7(3) . .
C68 C67 H67 120.1 . .
C66 C67 H67 120.1 . .
C67 C68 C63 120.7(3) . .
C67 C68 H68 119.7 . .
C63 C68 H68 119.7 . .
C74 C69 C70 120.0(3) . .
C74 C69 P6 118.6(2) . .
C70 C69 P6 121.4(2) . .
C71 C70 C69 119.8(3) . .
C71 C70 H70 120.1 . .
C69 C70 H70 120.1 . .
C72 C71 C70 120.0(3) . .
C72 C71 H71 120.0 . .
C70 C71 H71 120.0 . .
C73 C72 C71 120.3(3) . .
C73 C72 H72 119.8 . .
C71 C72 H72 119.8 . .
C72 C73 C74 119.9(3) . .
C72 C73 H73 120.0 . .
C74 C73 H73 120.0 . .
C69 C74 C73 119.9(3) . .
C69 C74 H74 120.0 . .
C73 C74 H74 120.0 . .
C80 C75 C76 119.8(2) . .
C80 C75 P6 119.2(2) . .
C76 C75 P6 120.7(2) . .
C77 C76 C75 120.5(3) . .
C77 C76 H76 119.8 . .
C75 C76 H76 119.8 . .
C76 C77 C78 119.4(3) . .
C76 C77 H77 120.3 . .
C78 C77 H77 120.3 . .
C79 C78 C77 120.3(3) . .
C79 C78 H78 119.9 . .
C77 C78 H78 119.9 . .
C78 C79 C80 120.8(3) . .
C78 C79 H79 119.6 . .
C80 C79 H79 119.6 . .
C75 C80 C79 119.2(3) . .
C75 C80 H80 120.4 . .
C79 C80 H80 120.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C21 1.809(3) .
P1 C1 1.815(3) .
P1 C41 1.822(3) .
P2 C1 1.713(3) .
P2 C15 1.799(3) .
P2 C3 1.814(3) .
P2 C9 1.823(3) .
P3 C21 1.717(3) .
P3 C23 1.812(3) .
P3 C35 1.816(3) .
P3 C29 1.821(3) .
P4 C41 1.714(3) .
P4 C55 1.800(3) .
P4 C49 1.822(3) .
P4 C43 1.829(3) .
P5 C61 1.812(3) 3_565
P5 C61 1.812(3) 2_665
P5 C61 1.812(3) .
P6 C61 1.710(3) .
P6 C75 1.806(3) .
P6 C69 1.813(3) .
P6 C63 1.816(3) .
N1 C2 1.156(4) .
N2 C22 1.162(4) .
N3 C42 1.159(4) .
N4 C62 1.156(4) .
C1 C2 1.404(4) .
C3 C8 1.384(5) .
C3 C4 1.402(5) .
C4 C5 1.384(5) .
C4 H4 0.9500 .
C5 C6 1.388(5) .
C5 H5 0.9500 .
C6 C7 1.362(6) .
C6 H6 0.9500 .
C7 C8 1.386(5) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 C14 1.378(5) .
C9 C10 1.395(5) .
C10 C11 1.382(6) .
C10 H10 0.9500 .
C11 C12 1.369(7) .
C11 H11 0.9500 .
C12 C13 1.397(7) .
C12 H12 0.9500 .
C13 C14 1.402(6) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C20 1.370(5) .
C15 C16 1.403(4) .
C16 C17 1.378(5) .
C16 H16 0.9500 .
C17 C18 1.384(5) .
C17 H17 0.9500 .
C18 C19 1.365(5) .
C18 H18 0.9500 .
C19 C20 1.394(5) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.389(4) .
C23 C28 1.363(5) .
C23 C24 1.399(4) .
C24 C25 1.374(5) .
C24 H24 0.9500 .
C25 C26 1.384(5) .
C25 H25 0.9500 .
C26 C27 1.373(5) .
C26 H26 0.9500 .
C27 C28 1.392(5) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C34 1.382(4) .
C29 C30 1.386(5) .
C30 C31 1.393(5) .
C30 H30 0.9500 .
C31 C32 1.389(5) .
C31 H31 0.9500 .
C32 C33 1.385(5) .
C32 H32 0.9500 .
C33 C34 1.396(5) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 C36 1.388(4) .
C35 C40 1.391(5) .
C36 C37 1.390(5) .
C36 H36 0.9500 .
C37 C38 1.367(6) .
C37 H37 0.9500 .
C38 C39 1.383(5) .
C38 H38 0.9500 .
C39 C40 1.374(5) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C42 1.394(4) .
C43 C48 1.384(4) .
C43 C44 1.398(5) .
C44 C45 1.391(4) .
C44 H44 0.9500 .
C45 C46 1.374(6) .
C45 H45 0.9500 .
C46 C47 1.363(6) .
C46 H46 0.9500 .
C47 C48 1.394(5) .
C47 H47 0.9500 .
C48 H48 0.9500 .
C49 C54 1.378(4) .
C49 C50 1.391(4) .
C50 C51 1.388(4) .
C50 H50 0.9500 .
C51 C52 1.390(5) .
C51 H51 0.9500 .
C52 C53 1.383(5) .
C52 H52 0.9500 .
C53 C54 1.395(4) .
C53 H53 0.9500 .
C54 H54 0.9500 .
C55 C56 1.387(4) .
C55 C60 1.395(4) .
C56 C57 1.392(4) .
C56 H56 0.9500 .
C57 C58 1.398(5) .
C57 H57 0.9500 .
C58 C59 1.378(5) .
C58 H58 0.9500 .
C59 C60 1.393(4) .
C59 H59 0.9500 .
C60 H60 0.9500 .
C61 C62 1.405(4) .
C63 C64 1.395(4) .
C63 C68 1.399(4) .
C64 C65 1.394(4) .
C64 H64 0.9500 .
C65 C66 1.386(4) .
C65 H65 0.9500 .
C66 C67 1.388(4) .
C66 H66 0.9500 .
C67 C68 1.377(4) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 C74 1.386(4) .
C69 C70 1.392(4) .
C70 C71 1.390(4) .
C70 H70 0.9500 .
C71 C72 1.384(5) .
C71 H71 0.9500 .
C72 C73 1.381(5) .
C72 H72 0.9500 .
C73 C74 1.393(4) .
C73 H73 0.9500 .
C74 H74 0.9500 .
C75 C80 1.390(4) .
C75 C76 1.393(4) .
C76 C77 1.383(4) .
C76 H76 0.9500 .
C77 C78 1.393(4) .
C77 H77 0.9500 .
C78 C79 1.372(4) .
C78 H78 0.9500 .
C79 C80 1.391(4) .
C79 H79 0.9500 .
C80 H80 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
C15 P2 C1 C2 174.4(2) .
C3 P2 C1 C2 55.1(3) .
C9 P2 C1 C2 -66.1(3) .
C15 P2 C1 P1 -13.7(2) .
C3 P2 C1 P1 -132.89(18) .
C9 P2 C1 P1 105.9(2) .
C21 P1 C1 C2 27.5(3) .
C41 P1 C1 C2 -78.7(3) .
C21 P1 C1 P2 -143.84(19) .
C41 P1 C1 P2 110.00(19) .
C1 P2 C3 C8 -150.8(3) .
C15 P2 C3 C8 88.0(3) .
C9 P2 C3 C8 -24.5(3) .
C1 P2 C3 C4 30.9(3) .
C15 P2 C3 C4 -90.3(3) .
C9 P2 C3 C4 157.2(2) .
C8 C3 C4 C5 -0.6(5) .
P2 C3 C4 C5 177.8(3) .
C3 C4 C5 C6 1.0(5) .
C4 C5 C6 C7 -1.3(5) .
C5 C6 C7 C8 1.1(5) .
C4 C3 C8 C7 0.4(5) .
P2 C3 C8 C7 -177.8(2) .
C6 C7 C8 C3 -0.7(5) .
C1 P2 C9 C14 -155.5(3) .
C15 P2 C9 C14 -33.1(3) .
C3 P2 C9 C14 80.7(3) .
C1 P2 C9 C10 22.7(3) .
C15 P2 C9 C10 145.0(3) .
C3 P2 C9 C10 -101.1(3) .
C14 C9 C10 C11 -0.5(6) .
P2 C9 C10 C11 -178.7(3) .
C9 C10 C11 C12 0.8(7) .
C10 C11 C12 C13 -0.4(8) .
C11 C12 C13 C14 -0.3(7) .
C10 C9 C14 C13 -0.2(6) .
P2 C9 C14 C13 178.0(3) .
C12 C13 C14 C9 0.6(7) .
C1 P2 C15 C20 -105.4(3) .
C3 P2 C15 C20 16.1(3) .
C9 P2 C15 C20 129.3(3) .
C1 P2 C15 C16 76.2(3) .
C3 P2 C15 C16 -162.2(3) .
C9 P2 C15 C16 -49.1(3) .
C20 C15 C16 C17 0.9(5) .
P2 C15 C16 C17 179.3(2) .
C15 C16 C17 C18 -1.9(5) .
C16 C17 C18 C19 1.9(5) .
C17 C18 C19 C20 -1.0(5) .
C16 C15 C20 C19 0.0(5) .
P2 C15 C20 C19 -178.3(3) .
C18 C19 C20 C15 0.0(5) .
C23 P3 C21 C22 170.7(2) .
C35 P3 C21 C22 -69.9(3) .
C29 P3 C21 C22 51.7(3) .
C23 P3 C21 P1 -14.4(2) .
C35 P3 C21 P1 104.97(19) .
C29 P3 C21 P1 -133.35(18) .
C1 P1 C21 C22 -80.2(3) .
C41 P1 C21 C22 25.2(3) .
C1 P1 C21 P3 105.21(18) .
C41 P1 C21 P3 -149.38(17) .
C21 P3 C23 C28 -97.1(3) .
C35 P3 C23 C28 139.2(3) .
C29 P3 C23 C28 24.4(3) .
C21 P3 C23 C24 81.9(3) .
C35 P3 C23 C24 -41.9(3) .
C29 P3 C23 C24 -156.7(2) .
C28 C23 C24 C25 -1.0(5) .
P3 C23 C24 C25 -180.0(2) .
C23 C24 C25 C26 0.3(5) .
C24 C25 C26 C27 0.9(5) .
C25 C26 C27 C28 -1.3(6) .
C24 C23 C28 C27 0.6(5) .
P3 C23 C28 C27 179.6(3) .
C26 C27 C28 C23 0.6(6) .
C21 P3 C29 C34 -150.3(3) .
C23 P3 C29 C34 88.1(3) .
C35 P3 C29 C34 -25.4(3) .
C21 P3 C29 C30 31.7(3) .
C23 P3 C29 C30 -89.9(3) .
C35 P3 C29 C30 156.6(2) .
C34 C29 C30 C31 -1.8(5) .
P3 C29 C30 C31 176.2(3) .
C29 C30 C31 C32 1.9(5) .
C30 C31 C32 C33 -0.9(6) .
C31 C32 C33 C34 -0.3(5) .
C30 C29 C34 C33 0.7(5) .
P3 C29 C34 C33 -177.2(2) .
C32 C33 C34 C29 0.4(5) .
C21 P3 C35 C36 -154.8(2) .
C23 P3 C35 C36 -32.4(3) .
C29 P3 C35 C36 81.7(3) .
C21 P3 C35 C40 20.9(3) .
C23 P3 C35 C40 143.3(3) .
C29 P3 C35 C40 -102.6(3) .
C40 C35 C36 C37 -0.3(5) .
P3 C35 C36 C37 175.3(2) .
C35 C36 C37 C38 -0.1(5) .
C36 C37 C38 C39 1.8(5) .
C37 C38 C39 C40 -3.1(6) .
C38 C39 C40 C35 2.7(6) .
C36 C35 C40 C39 -0.9(5) .
P3 C35 C40 C39 -176.7(3) .
C55 P4 C41 C42 -174.9(2) .
C49 P4 C41 C42 66.5(2) .
C43 P4 C41 C42 -53.6(2) .
C55 P4 C41 P1 0.0(2) .
C49 P4 C41 P1 -118.57(17) .
C43 P4 C41 P1 121.28(17) .
C21 P1 C41 C42 -84.1(2) .
C1 P1 C41 C42 20.8(3) .
C21 P1 C41 P4 101.27(18) .
C1 P1 C41 P4 -153.84(17) .
C41 P4 C43 C48 -22.9(3) .
C55 P4 C43 C48 98.1(3) .
C49 P4 C43 C48 -148.5(2) .
C41 P4 C43 C44 154.4(2) .
C55 P4 C43 C44 -84.6(3) .
C49 P4 C43 C44 28.8(3) .
C48 C43 C44 C45 -0.6(5) .
P4 C43 C44 C45 -177.8(2) .
C43 C44 C45 C46 -0.2(5) .
C44 C45 C46 C47 1.1(5) .
C45 C46 C47 C48 -1.2(6) .
C44 C43 C48 C47 0.5(5) .
P4 C43 C48 C47 177.9(3) .
C46 C47 C48 C43 0.4(5) .
C41 P4 C49 C54 -10.3(3) .
C55 P4 C49 C54 -130.9(2) .
C43 P4 C49 C54 112.7(2) .
C41 P4 C49 C50 169.9(2) .
C55 P4 C49 C50 49.3(3) .
C43 P4 C49 C50 -67.1(3) .
C54 C49 C50 C51 -1.8(5) .
P4 C49 C50 C51 178.0(2) .
C49 C50 C51 C52 1.3(5) .
C50 C51 C52 C53 -0.5(5) .
C51 C52 C53 C54 0.1(5) .
C50 C49 C54 C53 1.4(4) .
P4 C49 C54 C53 -178.4(2) .
C52 C53 C54 C49 -0.5(5) .
C41 P4 C55 C56 79.5(3) .
C49 P4 C55 C56 -156.1(2) .
C43 P4 C55 C56 -42.6(3) .
C41 P4 C55 C60 -94.9(3) .
C49 P4 C55 C60 29.5(3) .
C43 P4 C55 C60 143.0(3) .
C60 C55 C56 C57 -0.8(5) .
P4 C55 C56 C57 -175.1(2) .
C55 C56 C57 C58 0.3(5) .
C56 C57 C58 C59 0.6(5) .
C57 C58 C59 C60 -1.0(5) .
C58 C59 C60 C55 0.5(5) .
C56 C55 C60 C59 0.3(5) .
P4 C55 C60 C59 174.7(3) .
C75 P6 C61 C62 -168.9(2) .
C69 P6 C61 C62 -49.7(3) .
C63 P6 C61 C62 69.0(2) .
C75 P6 C61 P5 13.9(2) .
C69 P6 C61 P5 133.06(16) .
C63 P6 C61 P5 -108.25(17) .
C61 P5 C61 C62 78.49(18) 3_565
C61 P5 C61 C62 -26.3(2) 2_665
C61 P5 C61 P6 -104.4(2) 3_565
C61 P5 C61 P6 150.86(19) 2_665
C61 P6 C63 C64 145.5(2) .
C75 P6 C63 C64 23.5(3) .
C69 P6 C63 C64 -92.4(2) .
C61 P6 C63 C68 -34.6(3) .
C75 P6 C63 C68 -156.6(2) .
C69 P6 C63 C68 87.6(2) .
C68 C63 C64 C65 0.1(4) .
P6 C63 C64 C65 -179.9(2) .
C63 C64 C65 C66 -1.3(4) .
C64 C65 C66 C67 0.4(4) .
C65 C66 C67 C68 1.8(5) .
C66 C67 C68 C63 -3.0(5) .
C64 C63 C68 C67 2.0(4) .
P6 C63 C68 C67 -177.9(2) .
C61 P6 C69 C74 -25.2(3) .
C75 P6 C69 C74 94.0(2) .
C63 P6 C69 C74 -150.1(2) .
C61 P6 C69 C70 156.3(2) .
C75 P6 C69 C70 -84.6(3) .
C63 P6 C69 C70 31.4(3) .
C74 C69 C70 C71 -1.8(4) .
P6 C69 C70 C71 176.7(2) .
C69 C70 C71 C72 1.5(5) .
C70 C71 C72 C73 -0.3(5) .
C71 C72 C73 C74 -0.7(5) .
C70 C69 C74 C73 0.9(4) .
P6 C69 C74 C73 -177.7(2) .
C72 C73 C74 C69 0.4(5) .
C61 P6 C75 C80 85.4(2) .
C69 P6 C75 C80 -35.2(2) .
C63 P6 C75 C80 -148.5(2) .
C61 P6 C75 C76 -88.5(2) .
C69 P6 C75 C76 150.9(2) .
C63 P6 C75 C76 37.6(2) .
C80 C75 C76 C77 1.2(4) .
P6 C75 C76 C77 175.1(2) .
C75 C76 C77 C78 -1.0(4) .
C76 C77 C78 C79 -0.3(4) .
C77 C78 C79 C80 1.4(4) .
C76 C75 C80 C79 -0.1(4) .
P6 C75 C80 C79 -174.1(2) .
C78 C79 C80 C75 -1.2(4) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168303449
