#------------------------------------------------------------------------------
#$Date: 2016-04-04 13:48:36 +0300 (Mon, 04 Apr 2016) $
#$Revision: 181379 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/64/4086449.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_4086449
loop_
_publ_author_name
'Magnuson, Kevin W.'
'Oshiro, Shelly M.'
'Gurr, Joshua R.'
'Yoshida, Wesley Y.'
'Gembicky, Milan'
'Rheingold, Arnold L.'
'Hughes, Russell P.'
'Cain, Matthew F.'
_publ_contact_author_name
;
;
_publ_section_title
;
 Streamlined Preparation and Coordination Chemistry of Hybrid
 Phosphine--Phosphaalkene Ligands
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              855
_journal_page_last               859
_journal_paper_doi               10.1021/acs.organomet.6b00101
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C32 H42 P2'
_chemical_formula_sum            'C32 H42 P2'
_chemical_formula_weight         488.59
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2015-05-12
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                101.749(3)
_cell_angle_beta                 98.922(4)
_cell_angle_gamma                110.134(4)
_cell_formula_units_Z            4
_cell_length_a                   10.4449(13)
_cell_length_b                   14.5401(16)
_cell_length_c                   21.135(2)
_cell_measurement_reflns_used    7579
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.352
_cell_measurement_theta_min      2.189
_cell_volume                     2860.6(6)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            32571
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.396
_diffrn_reflns_theta_max         25.396
_diffrn_reflns_theta_min         1.602
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.170
_exptl_absorpt_correction_T_max  0.0916
_exptl_absorpt_correction_T_min  0.0671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0778 before and 0.0483 after correction.
The Ratio of minimum to maximum transmission is 0.7325.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.342
_refine_diff_density_min         -0.281
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         10426
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0495
_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)+(0.0555P)²+1.0494P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1132
_refine_ls_wR_factor_ref         0.1274
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7503
_reflns_number_total             10426
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om6b00101_si_004.cif
_cod_data_source_block           cain09_a
_cod_original_cell_volume        2860.5(6)
_cod_database_code               4086449
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C45(H45A,H45B)
2.b Aromatic/amide H refined with riding coordinates:
 C19(H19), C49(H49), C17(H17), C43(H43), C44(H44), C38(H38), C12(H12), C6(H6),
 C36(H36), C37(H37), C41(H41), C42(H42), C40(H40), C5(H5), C51(H51), C9(H9),
 C34(H34), C35(H35), C11(H11), C2(H2), C10(H10), C8(H8), C4(H4), C3(H3)
2.c Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C60(H60A,H60B,H60C), C58(H58A,H58B,
 H58C), C24(H24A,H24B,H24C), C23(H23A,H23B,H23C), C64(H64A,H64B,H64C), C56(H56A,
 H56B,H56C), C63(H63A,H63B,H63C), C22(H22A,H22B,H22C), C62(H62A,H62B,H62C),
 C26(H26A,H26B,H26C), C59(H59A,H59B,H59C), C30(H30A,H30B,H30C), C55(H55A,H55B,
 H55C), C32(H32A,H32B,H32C), C31(H31A,H31B,H31C), C54(H54A,H54B,H54C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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
P3 P 0.72306(7) 0.67034(5) 0.63738(3) 0.02722(16) Uani 1 1 d . . . . .
P4 P 0.48124(7) 0.64023(5) 0.76703(3) 0.03158(17) Uani 1 1 d . . . . .
P2 P 0.45492(7) 0.64361(5) 0.26555(3) 0.03076(17) Uani 1 1 d . . . . .
P1 P 0.23482(7) 0.53221(5) 0.08024(3) 0.03006(16) Uani 1 1 d . . . . .
C19 C 0.5257(3) 0.94763(18) 0.33996(12) 0.0296(6) Uani 1 1 d . . . . .
H19 H 0.4704 0.9876 0.3420 0.036 Uiso 1 1 calc R . . . .
C48 C 0.5185(3) 0.84631(18) 0.82248(11) 0.0279(5) Uani 1 1 d . . . . .
C18 C 0.6700(2) 0.99720(17) 0.36505(11) 0.0268(5) Uani 1 1 d . . . . .
C49 C 0.4647(3) 0.92247(18) 0.83464(11) 0.0282(5) Uani 1 1 d . . . . .
H49 H 0.5293 0.9916 0.8484 0.034 Uiso 1 1 calc R . . . .
C15 C 0.5396(3) 0.78245(17) 0.30790(11) 0.0270(5) Uani 1 1 d . . . . .
C52 C 0.2753(3) 0.72036(18) 0.79552(11) 0.0262(5) Uani 1 1 d . . . . .
C53 C 0.6815(3) 0.88460(19) 0.83628(12) 0.0315(6) Uani 1 1 d . . . . .
C61 C 0.1614(3) 0.61050(18) 0.77819(12) 0.0303(6) Uani 1 1 d . . . . .
C47 C 0.4206(3) 0.74319(18) 0.79807(11) 0.0272(5) Uani 1 1 d . . . . .
C25 C 0.7362(3) 1.11220(18) 0.39879(11) 0.0291(5) Uani 1 1 d . . . . .
C17 C 0.7470(3) 0.93581(18) 0.36329(11) 0.0275(5) Uani 1 1 d . . . . .
H17 H 0.8459 0.9676 0.3811 0.033 Uiso 1 1 calc R . . . .
C20 C 0.4566(3) 0.84232(18) 0.31180(11) 0.0269(5) Uani 1 1 d . . . . .
C50 C 0.3236(3) 0.90310(18) 0.82787(11) 0.0271(5) Uani 1 1 d . . . . .
C43 C 0.7260(3) 0.89730(19) 0.55071(12) 0.0340(6) Uani 1 1 d . . . . .
H43 H 0.7867 0.9665 0.5585 0.041 Uiso 1 1 calc R . . . .
C44 C 0.7537(3) 0.84201(18) 0.59372(12) 0.0293(5) Uani 1 1 d . . . . .
H44 H 0.8321 0.8744 0.6312 0.035 Uiso 1 1 calc R . . . .
C21 C 0.7874(3) 0.77238(19) 0.34129(12) 0.0304(6) Uani 1 1 d . . . . .
C16 C 0.6867(3) 0.83006(18) 0.33679(11) 0.0272(5) Uani 1 1 d . . . . .
C7 C 0.3065(3) 0.62982(18) 0.03769(11) 0.0305(6) Uani 1 1 d . . . . .
C27 C 0.7285(3) 1.12830(19) 0.47178(12) 0.0389(6) Uani 1 1 d . . . . .
H27A H 0.6301 1.0993 0.4739 0.058 Uiso 1 1 calc GR . . . .
H27B H 0.7692 1.2014 0.4946 0.058 Uiso 1 1 calc GR . . . .
H27C H 0.7814 1.0944 0.4936 0.058 Uiso 1 1 calc GR . . . .
C57 C 0.2695(3) 0.98853(18) 0.84473(12) 0.0300(6) Uani 1 1 d . . . . .
C38 C 0.7732(3) 0.58308(19) 0.51419(12) 0.0306(6) Uani 1 1 d . . . . .
H38 H 0.7567 0.6355 0.4982 0.037 Uiso 1 1 calc R . . . .
C12 C 0.4318(3) 0.6495(2) 0.01785(12) 0.0365(6) Uani 1 1 d . . . . .
H12 H 0.4872 0.6115 0.0267 0.044 Uiso 1 1 calc R . . . .
C6 C 0.1379(3) 0.32220(19) 0.03289(12) 0.0352(6) Uani 1 1 d . . . . .
H6 H 0.1341 0.3244 0.0778 0.042 Uiso 1 1 calc R . . . .
C46 C 0.4929(2) 0.64908(18) 0.69074(12) 0.0269(5) Uani 1 1 d . . . . .
C36 C 0.8366(3) 0.43778(19) 0.49595(12) 0.0320(6) Uani 1 1 d . . . . .
H36 H 0.8620 0.3904 0.4680 0.038 Uiso 1 1 calc R . . . .
C29 C 0.2939(3) 0.80057(18) 0.28668(12) 0.0313(6) Uani 1 1 d . . . . .
C37 C 0.8102(3) 0.51372(19) 0.47386(12) 0.0333(6) Uani 1 1 d . . . . .
H37 H 0.8175 0.5186 0.4303 0.040 Uiso 1 1 calc R . . . .
C33 C 0.7598(2) 0.57708(18) 0.57840(11) 0.0262(5) Uani 1 1 d . . . . .
C41 C 0.5226(3) 0.75132(19) 0.48591(12) 0.0312(6) Uani 1 1 d . . . . .
H41 H 0.4426 0.7200 0.4491 0.037 Uiso 1 1 calc R . . . .
C42 C 0.6104(3) 0.85212(19) 0.49673(12) 0.0316(6) Uani 1 1 d . . . . .
H42 H 0.5915 0.8899 0.4673 0.038 Uiso 1 1 calc R . . . .
C13 C 0.3988(3) 0.53738(19) 0.13366(12) 0.0345(6) Uani 1 1 d . . . . .
H13A H 0.3760 0.4800 0.1541 0.041 Uiso 1 1 calc R . . . .
H13B H 0.4654 0.5311 0.1061 0.041 Uiso 1 1 calc R . . . .
C39 C 0.6682(2) 0.74014(18) 0.58261(11) 0.0265(5) Uani 1 1 d . . . . .
C40 C 0.5506(3) 0.69552(18) 0.52848(12) 0.0287(5) Uani 1 1 d . . . . .
H40 H 0.4893 0.6265 0.5207 0.034 Uiso 1 1 calc R . . . .
C5 C 0.0921(3) 0.2286(2) -0.01401(13) 0.0405(7) Uani 1 1 d . . . . .
H5 H 0.0586 0.1674 -0.0011 0.049 Uiso 1 1 calc R . . . .
C51 C 0.2321(3) 0.80092(18) 0.81013(11) 0.0281(5) Uani 1 1 d . . . . .
H51 H 0.1352 0.7856 0.8079 0.034 Uiso 1 1 calc R . . . .
C9 C 0.2739(3) 0.7620(2) -0.00812(13) 0.0405(7) Uani 1 1 d . . . . .
H9 H 0.2189 0.8002 -0.0172 0.049 Uiso 1 1 calc R . . . .
C28 C 0.6573(3) 1.16780(19) 0.36577(14) 0.0459(7) Uani 1 1 d . . . . .
H28A H 0.6537 1.1522 0.3180 0.069 Uiso 1 1 calc GR . . . .
H28B H 0.7062 1.2415 0.3861 0.069 Uiso 1 1 calc GR . . . .
H28C H 0.5614 1.1455 0.3720 0.069 Uiso 1 1 calc GR . . . .
C60 C 0.3760(3) 1.09230(19) 0.84558(13) 0.0372(6) Uani 1 1 d . . . . .
H60A H 0.4622 1.1109 0.8799 0.056 Uiso 1 1 calc GR . . . .
H60B H 0.3360 1.1439 0.8554 0.056 Uiso 1 1 calc GR . . . .
H60C H 0.3980 1.0885 0.8019 0.056 Uiso 1 1 calc GR . . . .
C34 C 0.7874(2) 0.49973(18) 0.60004(12) 0.0299(6) Uani 1 1 d . . . . .
H34 H 0.7797 0.4940 0.6434 0.036 Uiso 1 1 calc R . . . .
C58 C 0.1343(3) 0.9665(2) 0.79281(14) 0.0431(7) Uani 1 1 d . . . . .
H58A H 0.1551 0.9662 0.7491 0.065 Uiso 1 1 calc GR . . . .
H58B H 0.0979 1.0193 0.8060 0.065 Uiso 1 1 calc GR . . . .
H58C H 0.0637 0.8998 0.7902 0.065 Uiso 1 1 calc GR . . . .
C1 C 0.1895(3) 0.41303(18) 0.01562(11) 0.0292(5) Uani 1 1 d . . . . .
C35 C 0.8256(3) 0.43131(19) 0.55955(12) 0.0324(6) Uani 1 1 d . . . . .
H35 H 0.8444 0.3795 0.5754 0.039 Uiso 1 1 calc R . . . .
C24 C 0.8228(3) 0.7456(2) 0.27335(12) 0.0339(6) Uani 1 1 d . . . . .
H24A H 0.7364 0.7004 0.2394 0.051 Uiso 1 1 calc GR . . . .
H24B H 0.8885 0.7112 0.2769 0.051 Uiso 1 1 calc GR . . . .
H24C H 0.8662 0.8082 0.2606 0.051 Uiso 1 1 calc GR . . . .
C23 C 0.7263(3) 0.6748(2) 0.36272(14) 0.0411(7) Uani 1 1 d . . . . .
H23A H 0.6882 0.6894 0.4014 0.062 Uiso 1 1 calc GR . . . .
H23B H 0.8006 0.6502 0.3745 0.062 Uiso 1 1 calc GR . . . .
H23C H 0.6510 0.6224 0.3259 0.062 Uiso 1 1 calc GR . . . .
C11 C 0.4766(3) 0.7242(2) -0.01485(13) 0.0418(7) Uani 1 1 d . . . . .
H11 H 0.5622 0.7367 -0.0284 0.050 Uiso 1 1 calc R . . . .
C45 C 0.5509(3) 0.58632(18) 0.64754(12) 0.0285(5) Uani 1 1 d . . . . .
H45A H 0.4839 0.5512 0.6033 0.034 Uiso 1 1 calc R . . . .
H45B H 0.5640 0.5338 0.6682 0.034 Uiso 1 1 calc R . . . .
C2 C 0.1924(3) 0.4066(2) -0.05080(12) 0.0405(7) Uani 1 1 d . . . . .
H2 H 0.2273 0.4672 -0.0642 0.049 Uiso 1 1 calc R . . . .
C10 C 0.3980(3) 0.7804(2) -0.02778(12) 0.0421(7) Uani 1 1 d . . . . .
H10 H 0.4291 0.8315 -0.0501 0.051 Uiso 1 1 calc R . . . .
C64 C 0.2060(3) 0.54829(19) 0.82132(13) 0.0407(7) Uani 1 1 d . . . . .
H64A H 0.2908 0.5401 0.8116 0.061 Uiso 1 1 calc GR . . . .
H64B H 0.1300 0.4810 0.8113 0.061 Uiso 1 1 calc GR . . . .
H64C H 0.2256 0.5840 0.8685 0.061 Uiso 1 1 calc GR . . . .
C56 C 0.7271(3) 0.9082(2) 0.77436(14) 0.0469(7) Uani 1 1 d . . . . .
H56A H 0.6903 0.8452 0.7378 0.070 Uiso 1 1 calc GR . . . .
H56B H 0.8300 0.9376 0.7840 0.070 Uiso 1 1 calc GR . . . .
H56C H 0.6903 0.9570 0.7614 0.070 Uiso 1 1 calc GR . . . .
C14 C 0.4648(3) 0.63671(19) 0.18724(12) 0.0308(6) Uani 1 1 d . . . . .
C63 C 0.0204(3) 0.6107(2) 0.79151(14) 0.0414(7) Uani 1 1 d . . . . .
H63A H 0.0354 0.6470 0.8382 0.062 Uiso 1 1 calc GR . . . .
H63B H -0.0468 0.5403 0.7824 0.062 Uiso 1 1 calc GR . . . .
H63C H -0.0170 0.6449 0.7624 0.062 Uiso 1 1 calc GR . . . .
C22 C 0.9269(3) 0.8385(2) 0.39298(13) 0.0415(7) Uani 1 1 d . . . . .
H22A H 0.9771 0.8979 0.3785 0.062 Uiso 1 1 calc GR . . . .
H22B H 0.9848 0.7984 0.3973 0.062 Uiso 1 1 calc GR . . . .
H22C H 0.9079 0.8614 0.4361 0.062 Uiso 1 1 calc GR . . . .
C8 C 0.2287(3) 0.68774(19) 0.02494(12) 0.0345(6) Uani 1 1 d . . . . .
H8 H 0.1438 0.6764 0.0390 0.041 Uiso 1 1 calc R . . . .
C62 C 0.1303(3) 0.5554(2) 0.70365(12) 0.0371(6) Uani 1 1 d . . . . .
H62A H 0.1037 0.5963 0.6766 0.056 Uiso 1 1 calc GR . . . .
H62B H 0.0530 0.4886 0.6931 0.056 Uiso 1 1 calc GR . . . .
H62C H 0.2145 0.5462 0.6938 0.056 Uiso 1 1 calc GR . . . .
C26 C 0.8907(3) 1.1599(2) 0.39730(17) 0.0550(9) Uani 1 1 d . . . . .
H26A H 0.9442 1.1273 0.4200 0.083 Uiso 1 1 calc GR . . . .
H26B H 0.9288 1.2330 0.4200 0.083 Uiso 1 1 calc GR . . . .
H26C H 0.8981 1.1499 0.3509 0.083 Uiso 1 1 calc GR . . . .
C59 C 0.2387(3) 0.9943(2) 0.91383(13) 0.0442(7) Uani 1 1 d . . . . .
H59A H 0.1655 0.9296 0.9127 0.066 Uiso 1 1 calc GR . . . .
H59B H 0.2064 1.0498 0.9262 0.066 Uiso 1 1 calc GR . . . .
H59C H 0.3246 1.0073 0.9467 0.066 Uiso 1 1 calc GR . . . .
C4 C 0.0950(3) 0.2244(2) -0.07954(13) 0.0417(7) Uani 1 1 d . . . . .
H4 H 0.0626 0.1604 -0.1120 0.050 Uiso 1 1 calc R . . . .
C3 C 0.1448(3) 0.3128(2) -0.09737(13) 0.0472(7) Uani 1 1 d . . . . .
H3 H 0.1469 0.3099 -0.1425 0.057 Uiso 1 1 calc R . . . .
C30 C 0.2519(3) 0.7808(3) 0.21134(14) 0.0528(8) Uani 1 1 d . . . . .
H30A H 0.3003 0.8431 0.1992 0.079 Uiso 1 1 calc GR . . . .
H30B H 0.1500 0.7604 0.1966 0.079 Uiso 1 1 calc GR . . . .
H30C H 0.2785 0.7262 0.1896 0.079 Uiso 1 1 calc GR . . . .
C55 C 0.7436(3) 0.8105(3) 0.85691(19) 0.0649(10) Uani 1 1 d . . . . .
H55A H 0.7001 0.7840 0.8908 0.097 Uiso 1 1 calc GR . . . .
H55B H 0.8453 0.8464 0.8752 0.097 Uiso 1 1 calc GR . . . .
H55C H 0.7249 0.7539 0.8179 0.097 Uiso 1 1 calc GR . . . .
C32 C 0.2347(3) 0.8770(2) 0.31760(16) 0.0485(7) Uani 1 1 d . . . . .
H32A H 0.2669 0.8962 0.3663 0.073 Uiso 1 1 calc GR . . . .
H32B H 0.1317 0.8458 0.3045 0.073 Uiso 1 1 calc GR . . . .
H32C H 0.2676 0.9379 0.3018 0.073 Uiso 1 1 calc GR . . . .
C31 C 0.2194(3) 0.7058(2) 0.30806(19) 0.0629(10) Uani 1 1 d . . . . .
H31A H 0.2390 0.6486 0.2845 0.094 Uiso 1 1 calc GR . . . .
H31B H 0.1178 0.6886 0.2972 0.094 Uiso 1 1 calc GR . . . .
H31C H 0.2538 0.7192 0.3562 0.094 Uiso 1 1 calc GR . . . .
C54 C 0.7503(3) 0.9833(3) 0.89365(16) 0.0670(10) Uani 1 1 d . . . . .
H54A H 0.7324 1.0386 0.8792 0.101 Uiso 1 1 calc GR . . . .
H54B H 0.8519 1.0011 0.9064 0.101 Uiso 1 1 calc GR . . . .
H54C H 0.7105 0.9732 0.9320 0.101 Uiso 1 1 calc GR . . . .
H14 H 0.507(2) 0.6951(18) 0.1732(11) 0.027(6) Uiso 1 1 d . . . . .
H46 H 0.465(2) 0.6970(17) 0.6736(11) 0.023(6) 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
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
C33 P3 C39 101.28(10) . .
C33 P3 C45 99.93(10) . .
C39 P3 C45 101.91(11) . .
C46 P4 C47 102.59(11) . .
C14 P2 C15 103.56(11) . .
C7 P1 C13 101.56(12) . .
C1 P1 C7 102.65(11) . .
C1 P1 C13 99.82(11) . .
C18 C19 H19 118.0 . .
C18 C19 C20 124.0(2) . .
C20 C19 H19 118.0 . .
C49 C48 C53 115.6(2) . .
C49 C48 C47 117.7(2) . .
C47 C48 C53 126.7(2) . .
C19 C18 C25 120.5(2) . .
C19 C18 C17 116.4(2) . .
C17 C18 C25 122.8(2) . .
C48 C49 H49 118.0 . .
C50 C49 C48 123.9(2) . .
C50 C49 H49 118.0 . .
C20 C15 P2 119.89(18) . .
C16 C15 P2 120.79(17) . .
C16 C15 C20 119.3(2) . .
C47 C52 C61 124.2(2) . .
C51 C52 C61 117.5(2) . .
C51 C52 C47 118.4(2) . .
C56 C53 C48 109.2(2) . .
C56 C53 C55 108.7(2) . .
C56 C53 C54 107.9(2) . .
C55 C53 C48 115.0(2) . .
C55 C53 C54 105.7(2) . .
C54 C53 C48 110.1(2) . .
C64 C61 C52 111.3(2) . .
C64 C61 C63 105.9(2) . .
C64 C61 C62 110.2(2) . .
C63 C61 C52 111.9(2) . .
C62 C61 C52 110.90(19) . .
C62 C61 C63 106.4(2) . .
C48 C47 P4 120.02(18) . .
C48 C47 C52 119.4(2) . .
C52 C47 P4 120.56(18) . .
C27 C25 C18 107.63(19) . .
C28 C25 C18 111.4(2) . .
C28 C25 C27 109.1(2) . .
C28 C25 C26 108.1(2) . .
C26 C25 C18 112.4(2) . .
C26 C25 C27 108.1(2) . .
C18 C17 H17 118.2 . .
C18 C17 C16 123.5(2) . .
C16 C17 H17 118.2 . .
C19 C20 C15 118.0(2) . .
C19 C20 C29 116.5(2) . .
C15 C20 C29 125.4(2) . .
C49 C50 C57 122.4(2) . .
C49 C50 C51 116.6(2) . .
C51 C50 C57 120.8(2) . .
C44 C43 H43 119.8 . .
C42 C43 H43 119.8 . .
C42 C43 C44 120.3(2) . .
C43 C44 H44 119.5 . .
C39 C44 C43 120.9(2) . .
C39 C44 H44 119.5 . .
C24 C21 C16 109.88(19) . .
C23 C21 C16 113.0(2) . .
C23 C21 C24 109.4(2) . .
C23 C21 C22 105.9(2) . .
C22 C21 C16 111.3(2) . .
C22 C21 C24 107.2(2) . .
C15 C16 C21 124.5(2) . .
C17 C16 C15 118.5(2) . .
C17 C16 C21 116.9(2) . .
C12 C7 P1 124.7(2) . .
C12 C7 C8 118.4(2) . .
C8 C7 P1 116.97(19) . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27B 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C50 C57 C58 110.7(2) . .
C50 C57 C59 108.07(19) . .
C60 C57 C50 112.4(2) . .
C60 C57 C58 107.0(2) . .
C60 C57 C59 109.1(2) . .
C59 C57 C58 109.6(2) . .
C37 C38 H38 119.6 . .
C37 C38 C33 120.9(2) . .
C33 C38 H38 119.6 . .
C7 C12 H12 119.7 . .
C7 C12 C11 120.5(3) . .
C11 C12 H12 119.7 . .
C5 C6 H6 119.3 . .
C5 C6 C1 121.3(2) . .
C1 C6 H6 119.3 . .
P4 C46 H46 120.1(13) . .
C45 C46 P4 122.34(18) . .
C45 C46 H46 117.5(13) . .
C37 C36 H36 120.5 . .
C37 C36 C35 119.1(2) . .
C35 C36 H36 120.5 . .
C30 C29 C20 110.3(2) . .
C30 C29 C32 107.3(2) . .
C30 C29 C31 111.4(2) . .
C32 C29 C20 111.5(2) . .
C31 C29 C20 112.6(2) . .
C31 C29 C32 103.6(2) . .
C38 C37 H37 119.5 . .
C36 C37 C38 120.9(2) . .
C36 C37 H37 119.5 . .
C38 C33 P3 123.97(18) . .
C34 C33 P3 118.43(18) . .
C34 C33 C38 117.4(2) . .
C42 C41 H41 119.8 . .
C42 C41 C40 120.5(2) . .
C40 C41 H41 119.8 . .
C43 C42 C41 119.4(2) . .
C43 C42 H42 120.3 . .
C41 C42 H42 120.3 . .
P1 C13 H13A 109.8 . .
P1 C13 H13B 109.8 . .
H13A C13 H13B 108.3 . .
C14 C13 P1 109.34(17) . .
C14 C13 H13A 109.8 . .
C14 C13 H13B 109.8 . .
C44 C39 P3 117.62(18) . .
C44 C39 C40 118.3(2) . .
C40 C39 P3 123.94(18) . .
C41 C40 C39 120.5(2) . .
C41 C40 H40 119.7 . .
C39 C40 H40 119.7 . .
C6 C5 H5 120.1 . .
C4 C5 C6 119.9(2) . .
C4 C5 H5 120.1 . .
C52 C51 C50 123.4(2) . .
C52 C51 H51 118.3 . .
C50 C51 H51 118.3 . .
C10 C9 H9 119.9 . .
C10 C9 C8 120.3(3) . .
C8 C9 H9 119.9 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C57 C60 H60A 109.5 . .
C57 C60 H60B 109.5 . .
C57 C60 H60C 109.5 . .
H60A C60 H60B 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C33 C34 H34 119.4 . .
C35 C34 C33 121.3(2) . .
C35 C34 H34 119.4 . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58B 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C6 C1 P1 117.62(18) . .
C6 C1 C2 117.6(2) . .
C2 C1 P1 124.56(19) . .
C36 C35 H35 119.8 . .
C34 C35 C36 120.4(2) . .
C34 C35 H35 119.8 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C12 C11 H11 119.7 . .
C10 C11 C12 120.6(3) . .
C10 C11 H11 119.7 . .
P3 C45 H45A 109.7 . .
P3 C45 H45B 109.7 . .
C46 C45 P3 109.68(16) . .
C46 C45 H45A 109.7 . .
C46 C45 H45B 109.7 . .
H45A C45 H45B 108.2 . .
C1 C2 H2 119.7 . .
C3 C2 C1 120.6(2) . .
C3 C2 H2 119.7 . .
C9 C10 C11 119.5(2) . .
C9 C10 H10 120.2 . .
C11 C10 H10 120.2 . .
C61 C64 H64A 109.5 . .
C61 C64 H64B 109.5 . .
C61 C64 H64C 109.5 . .
H64A C64 H64B 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C53 C56 H56A 109.5 . .
C53 C56 H56B 109.5 . .
C53 C56 H56C 109.5 . .
H56A C56 H56B 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
P2 C14 H14 122.3(14) . .
C13 C14 P2 121.67(19) . .
C13 C14 H14 115.9(14) . .
C61 C63 H63A 109.5 . .
C61 C63 H63B 109.5 . .
C61 C63 H63C 109.5 . .
H63A C63 H63B 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C7 C8 H8 119.6 . .
C9 C8 C7 120.8(2) . .
C9 C8 H8 119.6 . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62B 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C57 C59 H59A 109.5 . .
C57 C59 H59B 109.5 . .
C57 C59 H59C 109.5 . .
H59A C59 H59B 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C5 C4 H4 120.2 . .
C3 C4 C5 119.5(2) . .
C3 C4 H4 120.2 . .
C2 C3 H3 119.5 . .
C4 C3 C2 121.0(2) . .
C4 C3 H3 119.5 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C53 C55 H55A 109.5 . .
C53 C55 H55B 109.5 . .
C53 C55 H55C 109.5 . .
H55A C55 H55B 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C29 C32 H32A 109.5 . .
C29 C32 H32B 109.5 . .
C29 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54B 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P3 C33 1.833(2) .
P3 C39 1.836(2) .
P3 C45 1.867(2) .
P4 C47 1.859(2) .
P4 C46 1.663(2) .
P2 C15 1.857(2) .
P2 C14 1.659(3) .
P1 C7 1.838(2) .
P1 C13 1.868(3) .
P1 C1 1.834(2) .
C19 H19 0.9500 .
C19 C18 1.386(3) .
C19 C20 1.398(3) .
C48 C49 1.402(3) .
C48 C53 1.556(3) .
C48 C47 1.423(3) .
C18 C25 1.532(3) .
C18 C17 1.391(3) .
C49 H49 0.9500 .
C49 C50 1.380(3) .
C15 C20 1.425(3) .
C15 C16 1.421(3) .
C52 C61 1.555(3) .
C52 C47 1.427(3) .
C52 C51 1.389(3) .
C53 C56 1.524(3) .
C53 C55 1.534(4) .
C53 C54 1.535(4) .
C61 C64 1.536(3) .
C61 C63 1.543(4) .
C61 C62 1.542(3) .
C25 C27 1.531(3) .
C25 C28 1.526(3) .
C25 C26 1.530(4) .
C17 H17 0.9500 .
C17 C16 1.396(3) .
C20 C29 1.554(3) .
C50 C57 1.535(3) .
C50 C51 1.395(3) .
C43 H43 0.9500 .
C43 C44 1.390(3) .
C43 C42 1.382(4) .
C44 H44 0.9500 .
C44 C39 1.389(3) .
C21 C16 1.558(3) .
C21 C24 1.545(3) .
C21 C23 1.535(3) .
C21 C22 1.535(4) .
C7 C12 1.390(4) .
C7 C8 1.391(3) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C57 C60 1.530(3) .
C57 C58 1.538(4) .
C57 C59 1.535(3) .
C38 H38 0.9500 .
C38 C37 1.383(3) .
C38 C33 1.403(3) .
C12 H12 0.9500 .
C12 C11 1.391(3) .
C6 H6 0.9500 .
C6 C5 1.385(4) .
C6 C1 1.391(3) .
C46 C45 1.499(3) .
C46 H46 0.95(2) .
C36 H36 0.9500 .
C36 C37 1.376(3) .
C36 C35 1.386(3) .
C29 C30 1.523(4) .
C29 C32 1.532(4) .
C29 C31 1.528(3) .
C37 H37 0.9500 .
C33 C34 1.396(3) .
C41 H41 0.9500 .
C41 C42 1.384(3) .
C41 C40 1.390(3) .
C42 H42 0.9500 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C13 C14 1.500(3) .
C39 C40 1.397(3) .
C40 H40 0.9500 .
C5 H5 0.9500 .
C5 C4 1.380(4) .
C51 H51 0.9500 .
C9 H9 0.9500 .
C9 C10 1.378(4) .
C9 C8 1.391(3) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C34 H34 0.9500 .
C34 C35 1.383(3) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C1 C2 1.393(3) .
C35 H35 0.9500 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C11 H11 0.9500 .
C11 C10 1.379(4) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C2 H2 0.9500 .
C2 C3 1.382(4) .
C10 H10 0.9500 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C14 H14 0.94(2) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C8 H8 0.9500 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C4 H4 0.9500 .
C4 C3 1.365(4) .
C3 H3 0.9500 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
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
P3 C33 C34 C35 -175.39(19) . . . .
P3 C39 C40 C41 -174.49(18) . . . .
P4 C46 C45 P3 -111.20(18) . . . .
P2 C15 C20 C19 -175.62(16) . . . .
P2 C15 C20 C29 3.9(3) . . . .
P2 C15 C16 C17 174.92(16) . . . .
P2 C15 C16 C21 -5.2(3) . . . .
P1 C7 C12 C11 179.21(19) . . . .
P1 C7 C8 C9 -178.83(19) . . . .
P1 C13 C14 P2 104.79(19) . . . .
P1 C1 C2 C3 -174.3(2) . . . .
C19 C18 C25 C27 84.5(3) . . . .
C19 C18 C25 C28 -35.1(3) . . . .
C19 C18 C25 C26 -156.5(2) . . . .
C19 C18 C17 C16 1.4(3) . . . .
C19 C20 C29 C30 100.4(3) . . . .
C19 C20 C29 C32 -18.7(3) . . . .
C19 C20 C29 C31 -134.5(2) . . . .
C48 C49 C50 C57 177.1(2) . . . .
C48 C49 C50 C51 2.4(3) . . . .
C18 C19 C20 C15 -0.8(3) . . . .
C18 C19 C20 C29 179.7(2) . . . .
C18 C17 C16 C15 2.3(3) . . . .
C18 C17 C16 C21 -177.7(2) . . . .
C49 C48 C53 C56 -86.6(3) . . . .
C49 C48 C53 C55 151.0(2) . . . .
C49 C48 C53 C54 31.7(3) . . . .
C49 C48 C47 P4 169.41(16) . . . .
C49 C48 C47 C52 -8.4(3) . . . .
C49 C50 C57 C60 19.9(3) . . . .
C49 C50 C57 C58 139.4(2) . . . .
C49 C50 C57 C59 -100.6(3) . . . .
C49 C50 C51 C52 -4.0(3) . . . .
C15 P2 C14 C13 -175.6(2) . . . .
C15 C20 C29 C30 -79.1(3) . . . .
C15 C20 C29 C32 161.9(2) . . . .
C15 C20 C29 C31 46.0(3) . . . .
C53 C48 C49 C50 -177.3(2) . . . .
C53 C48 C47 P4 -9.5(3) . . . .
C53 C48 C47 C52 172.7(2) . . . .
C61 C52 C47 P4 10.0(3) . . . .
C61 C52 C47 C48 -172.2(2) . . . .
C61 C52 C51 C50 178.6(2) . . . .
C47 P4 C46 C45 174.5(2) . . . .
C47 C48 C49 C50 3.7(3) . . . .
C47 C48 C53 C56 92.3(3) . . . .
C47 C48 C53 C55 -30.1(3) . . . .
C47 C48 C53 C54 -149.4(3) . . . .
C47 C52 C61 C64 51.6(3) . . . .
C47 C52 C61 C63 169.9(2) . . . .
C47 C52 C61 C62 -71.5(3) . . . .
C47 C52 C51 C50 -0.7(3) . . . .
C25 C18 C17 C16 175.5(2) . . . .
C17 C18 C25 C27 -89.4(3) . . . .
C17 C18 C25 C28 151.1(2) . . . .
C17 C18 C25 C26 29.6(3) . . . .
C20 C19 C18 C25 -176.4(2) . . . .
C20 C19 C18 C17 -2.2(3) . . . .
C20 C15 C16 C17 -5.2(3) . . . .
C20 C15 C16 C21 174.7(2) . . . .
C43 C44 C39 P3 174.17(18) . . . .
C43 C44 C39 C40 -2.3(3) . . . .
C44 C43 C42 C41 0.0(4) . . . .
C44 C39 C40 C41 1.8(3) . . . .
C16 C15 C20 C19 4.5(3) . . . .
C16 C15 C20 C29 -176.0(2) . . . .
C7 P1 C13 C14 68.8(2) . . . .
C7 P1 C1 C6 176.8(2) . . . .
C7 P1 C1 C2 -8.7(3) . . . .
C7 C12 C11 C10 0.3(4) . . . .
C57 C50 C51 C52 -178.8(2) . . . .
C38 C33 C34 C35 -0.4(4) . . . .
C12 C7 C8 C9 1.3(4) . . . .
C12 C11 C10 C9 -0.1(4) . . . .
C6 C5 C4 C3 0.8(4) . . . .
C6 C1 C2 C3 0.2(4) . . . .
C46 P4 C47 C48 -79.6(2) . . . .
C46 P4 C47 C52 98.15(19) . . . .
C37 C38 C33 P3 175.70(19) . . . .
C37 C38 C33 C34 1.0(4) . . . .
C37 C36 C35 C34 0.6(4) . . . .
C33 P3 C39 C44 -114.23(19) . . . .
C33 P3 C39 C40 62.0(2) . . . .
C33 P3 C45 C46 -175.54(16) . . . .
C33 C38 C37 C36 -0.8(4) . . . .
C33 C34 C35 C36 -0.4(4) . . . .
C42 C43 C44 C39 1.5(4) . . . .
C42 C41 C40 C39 -0.4(4) . . . .
C13 P1 C7 C12 35.4(2) . . . .
C13 P1 C7 C8 -144.42(19) . . . .
C13 P1 C1 C6 72.5(2) . . . .
C13 P1 C1 C2 -113.0(2) . . . .
C39 P3 C33 C38 13.7(2) . . . .
C39 P3 C33 C34 -171.59(19) . . . .
C39 P3 C45 C46 -71.66(18) . . . .
C40 C41 C42 C43 -0.5(4) . . . .
C5 C6 C1 P1 175.5(2) . . . .
C5 C6 C1 C2 0.5(4) . . . .
C5 C4 C3 C2 0.0(4) . . . .
C51 C52 C61 C64 -127.6(2) . . . .
C51 C52 C61 C63 -9.3(3) . . . .
C51 C52 C61 C62 109.3(2) . . . .
C51 C52 C47 P4 -170.80(16) . . . .
C51 C52 C47 C48 7.0(3) . . . .
C51 C50 C57 C60 -165.6(2) . . . .
C51 C50 C57 C58 -46.0(3) . . . .
C51 C50 C57 C59 73.9(3) . . . .
C1 P1 C7 C12 -67.6(2) . . . .
C1 P1 C7 C8 112.61(19) . . . .
C1 P1 C13 C14 173.95(18) . . . .
C1 C6 C5 C4 -1.0(4) . . . .
C1 C2 C3 C4 -0.5(5) . . . .
C35 C36 C37 C38 0.0(4) . . . .
C24 C21 C16 C15 79.0(3) . . . .
C24 C21 C16 C17 -101.1(2) . . . .
C23 C21 C16 C15 -43.4(3) . . . .
C23 C21 C16 C17 136.5(2) . . . .
C45 P3 C33 C38 118.1(2) . . . .
C45 P3 C33 C34 -67.2(2) . . . .
C45 P3 C39 C44 142.95(18) . . . .
C45 P3 C39 C40 -40.8(2) . . . .
C10 C9 C8 C7 -1.1(4) . . . .
C14 P2 C15 C20 90.8(2) . . . .
C14 P2 C15 C16 -89.4(2) . . . .
C22 C21 C16 C15 -162.4(2) . . . .
C22 C21 C16 C17 17.5(3) . . . .
C8 C7 C12 C11 -1.0(4) . . . .
C8 C9 C10 C11 0.4(4) . . . .
