#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:13:18 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179035 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/33/4123386.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_4123386
loop_
_publ_author_name
'Henthorn, Justin T.'
'Lin, Sibo'
'Agapie, Theodor'
_publ_section_title
;
 Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction
 with π-Bound Molybdenum-Quinonoid Complexes.
;
_journal_issue                   4
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1458
_journal_page_last               1464
_journal_paper_doi               10.1021/ja5100405
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         '2(C33 H40 Mo O5 P2), 4.5(C6 H6)'
_chemical_formula_sum            'C93 H107 Mo2 O10 P4'
_chemical_formula_weight         1700.55
_chemical_name_systematic
;
 ? 
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-09-18
_audit_creation_method
;
Olex2 1.2
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_cell_angle_alpha                106.621(3)
_cell_angle_beta                 91.522(3)
_cell_angle_gamma                109.707(3)
_cell_formula_units_Z            2
_cell_length_a                   11.9691(7)
_cell_length_b                   16.9351(10)
_cell_length_c                   22.8410(13)
_cell_measurement_reflns_used    9679
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      38.02
_cell_measurement_theta_min      2.43
_cell_volume                     4137.5(4)
_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  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            295474
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.84
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.440
_exptl_absorpt_correction_T_max  0.7478
_exptl_absorpt_correction_T_min  0.6687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/2 (Bruker,2014) was used for absorption correction. wR2(int) was 0.0722 before and 0.0634 after correction. The Ratio of minimum to maximum transmission is 0.8942. The λ/2 correction factor is 0.00150.'
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             1778
_exptl_crystal_size_max          0.436
_exptl_crystal_size_mid          0.404
_exptl_crystal_size_min          0.155
_refine_diff_density_max         1.977
_refine_diff_density_min         -1.765
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.633
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1002
_refine_ls_number_reflns         24087
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.633
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1879
_refine_ls_wR_factor_ref         0.2015
_reflns_number_gt                20634
_reflns_number_total             24087
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5100405_si_001.cif
_cod_data_source_block           2a
_cod_depositor_comments
'Adding full bibliography for 4123386--4123389.cif.'
_cod_database_code               4123386
#BEGIN Tags that were not found in dictionaries:
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C19(H19), C22(H22), C25(H25), C28(H28), C58(H58), C61(H61), C64(H64), C67(H67)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2A), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C14(H14), C15(H15), C16(H16),
  C17(H17), C41(H41), C42(H42), C43(H43), C44(H44), C47(H47), C48(H48),
 C54(H54), C55(H55), C56(H56), C57(H57), C34(H34), C35(H35), C36(H36), C37(H37),
  C38(H38), C39(H39), C106(H106), C107(H107), C108(H108), C109(H109),
 C110(H110), C111(H111), C145(H145), C146(H146), C147(H147), C151(H151),
 C152(H152), C153(H153), C154(H154), C155(H155), C156(H156), C175(H175),
 C176(H176), C177(H177), C178(H178), C179(H179), C180(H180)
2.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C30(H30A,
 H30B,H30C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C62(H62A,H62B,H62C),
 C63(H63A,H63B,H63C), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C), C68(H68A,H68B,
 H68C), C69(H69A,H69B,H69C)
2.d Idealised tetrahedral OH refined as rotating group:
 O1(H1), O2(H2), O6(H6), O7(H7)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_refinement_flags_posn
Mo1 Mo 0.246455(17) 0.751435(13) 0.430825(10) 0.00921(7) Uani 1 d .
P1 P 0.17142(6) 0.87223(4) 0.42688(3) 0.00965(12) Uani 1 d .
P2 P 0.30973(6) 0.62189(4) 0.42558(3) 0.00980(13) Uani 1 d .
O1 O 0.50944(18) 0.89851(13) 0.30293(9) 0.0157(4) Uani 1 d .
H1 H 0.5288 0.8617 0.2778 0.024 Uiso 1 calc GR
O2 O 0.59455(19) 0.77944(14) 0.31458(9) 0.0189(4) Uani 1 d .
H2 H 0.6067 0.7363 0.3186 0.028 Uiso 1 calc GR
O3 O 0.2704(2) 0.70997(15) 0.28850(10) 0.0262(5) Uani 1 d .
O4 O -0.02180(18) 0.63214(14) 0.41135(12) 0.0282(5) Uani 1 d .
O5 O 0.2167(2) 0.78312(16) 0.57252(10) 0.0277(5) Uani 1 d .
C1 C 0.2714(2) 0.97138(17) 0.41026(12) 0.0130(5) Uani 1 d .
C2 C 0.2284(2) 1.03829(18) 0.40829(14) 0.0178(5) Uani 1 d .
H2A H 0.1527 1.0342 0.4191 0.021 Uiso 1 calc R
C3 C 0.2950(3) 1.11008(19) 0.39081(14) 0.0198(5) Uani 1 d .
H3 H 0.2639 1.1532 0.3898 0.024 Uiso 1 calc R
C4 C 0.4080(3) 1.11771(17) 0.37488(13) 0.0169(5) Uani 1 d .
H4 H 0.4525 1.1653 0.3624 0.020 Uiso 1 calc R
C5 C 0.4546(2) 1.05409(17) 0.37767(12) 0.0150(5) Uani 1 d .
H5 H 0.5310 1.0597 0.3675 0.018 Uiso 1 calc R
C6 C 0.3882(2) 0.98129(16) 0.39562(11) 0.0115(4) Uani 1 d .
C7 C 0.4433(2) 0.91744(16) 0.40220(11) 0.0102(4) Uani 1 d .
C8 C 0.4322(2) 0.89163(16) 0.45616(11) 0.0110(4) Uani 1 d .
H8 H 0.3974 0.9188 0.4879 0.013 Uiso 1 calc R
C9 C 0.4730(2) 0.82594(16) 0.46224(11) 0.0107(4) Uani 1 d .
H9 H 0.4643 0.8090 0.4976 0.013 Uiso 1 calc R
C10 C 0.5277(2) 0.78510(16) 0.41454(11) 0.0106(4) Uani 1 d .
C11 C 0.5449(2) 0.81454(16) 0.36416(12) 0.0122(4) Uani 1 d .
C12 C 0.5008(2) 0.87955(17) 0.35714(12) 0.0125(4) Uani 1 d .
C13 C 0.5587(2) 0.70955(16) 0.41896(11) 0.0107(4) Uani 1 d .
C14 C 0.6782(2) 0.71511(18) 0.41856(12) 0.0157(5) Uani 1 d .
H14 H 0.7366 0.7665 0.4163 0.019 Uiso 1 calc R
C15 C 0.7105(2) 0.64454(19) 0.42153(13) 0.0172(5) Uani 1 d .
H15 H 0.7901 0.6490 0.4222 0.021 Uiso 1 calc R
C16 C 0.6224(2) 0.56769(19) 0.42342(13) 0.0167(5) Uani 1 d .
H16 H 0.6425 0.5193 0.4237 0.020 Uiso 1 calc R
C17 C 0.5044(2) 0.56247(18) 0.42486(13) 0.0165(5) Uani 1 d .
H17 H 0.4467 0.5106 0.4267 0.020 Uiso 1 calc R
C18 C 0.4698(2) 0.63339(16) 0.42355(11) 0.0115(4) Uani 1 d .
C19 C 0.2406(2) 0.51797(17) 0.35771(13) 0.0158(5) Uani 1 d .
H19 H 0.2450 0.4688 0.3709 0.019 Uiso 1 calc R
C20 C 0.3095(3) 0.5196(2) 0.30215(13) 0.0212(6) Uani 1 d .
H20A H 0.2684 0.4673 0.2682 0.032 Uiso 1 calc GR
H20B H 0.3888 0.5217 0.3129 0.032 Uiso 1 calc GR
H20C H 0.3145 0.5707 0.2906 0.032 Uiso 1 calc GR
C21 C 0.1086(2) 0.49748(19) 0.33729(14) 0.0206(6) Uani 1 d .
H21A H 0.1011 0.5431 0.3221 0.031 Uiso 1 calc GR
H21B H 0.0649 0.4948 0.3717 0.031 Uiso 1 calc GR
H21C H 0.0768 0.4417 0.3052 0.031 Uiso 1 calc GR
C22 C 0.2844(2) 0.57724(17) 0.49205(12) 0.0149(5) Uani 1 d .
H22 H 0.3052 0.5241 0.4816 0.018 Uiso 1 calc R
C23 C 0.1534(3) 0.5495(2) 0.50323(15) 0.0219(6) Uani 1 d .
H23A H 0.1453 0.5287 0.5384 0.033 Uiso 1 calc GR
H23B H 0.1045 0.5031 0.4676 0.033 Uiso 1 calc GR
H23C H 0.1281 0.5992 0.5107 0.033 Uiso 1 calc GR
C24 C 0.3689(3) 0.64337(19) 0.54999(13) 0.0189(5) Uani 1 d .
H24A H 0.3605 0.6997 0.5575 0.028 Uiso 1 calc GR
H24B H 0.4501 0.6493 0.5441 0.028 Uiso 1 calc GR
H24C H 0.3490 0.6225 0.5847 0.028 Uiso 1 calc GR
C25 C 0.0376(2) 0.83149(18) 0.36675(13) 0.0189(5) Uani 1 d .
H25 H -0.0102 0.7720 0.3673 0.023 Uiso 1 calc R
C26 C 0.0754(4) 0.8201(3) 0.30259(15) 0.0425(10) Uani 1 d .
H26A H 0.0054 0.7917 0.2722 0.064 Uiso 1 calc GR
H26B H 0.1244 0.7845 0.2962 0.064 Uiso 1 calc GR
H26C H 0.1201 0.8770 0.2990 0.064 Uiso 1 calc GR
C27 C -0.0488(3) 0.8824(2) 0.37348(15) 0.0241(6) Uani 1 d .
H27A H -0.0116 0.9366 0.3645 0.036 Uiso 1 calc GR
H27B H -0.0678 0.8952 0.4149 0.036 Uiso 1 calc GR
H27C H -0.1210 0.8471 0.3452 0.036 Uiso 1 calc GR
C28 C 0.1185(2) 0.92651(17) 0.49799(12) 0.0146(5) Uani 1 d .
H28 H 0.0858 0.9678 0.4883 0.017 Uiso 1 calc R
C29 C 0.0180(2) 0.85980(19) 0.51770(14) 0.0197(5) Uani 1 d .
H29A H 0.0472 0.8182 0.5274 0.030 Uiso 1 calc GR
H29B H -0.0474 0.8291 0.4847 0.030 Uiso 1 calc GR
H29C H -0.0092 0.8902 0.5534 0.030 Uiso 1 calc GR
C30 C 0.2236(3) 0.98053(18) 0.54999(13) 0.0187(5) Uani 1 d .
H30A H 0.1945 1.0072 0.5864 0.028 Uiso 1 calc GR
H30B H 0.2809 1.0258 0.5375 0.028 Uiso 1 calc GR
H30C H 0.2610 0.9424 0.5587 0.028 Uiso 1 calc GR
C31 C 0.2600(2) 0.72520(17) 0.33990(13) 0.0158(5) Uani 1 d .
C32 C 0.0803(2) 0.67517(17) 0.41718(14) 0.0166(5) Uani 1 d .
C33 C 0.2318(2) 0.77367(18) 0.52184(13) 0.0164(5) Uani 1 d .
Mo2 Mo 0.672745(18) 0.129751(14) 0.147887(10) 0.01064(7) Uani 1 d .
P3 P 0.61379(6) 0.25883(4) 0.14686(3) 0.01091(13) Uani 1 d .
P4 P 0.74148(6) 0.00912(4) 0.15878(3) 0.01165(13) Uani 1 d .
O6 O 0.28352(18) 0.08046(14) 0.23086(10) 0.0198(4) Uani 1 d .
H6 H 0.2861 0.0605 0.2594 0.030 Uiso 1 calc GR
O7 O 0.34602(18) -0.05096(13) 0.23934(9) 0.0178(4) Uani 1 d .
H7 H 0.4025 -0.0541 0.2584 0.027 Uiso 1 calc GR
O8 O 0.6220(2) 0.16847(16) 0.28714(10) 0.0277(5) Uani 1 d .
O9 O 0.94091(17) 0.25048(14) 0.18142(10) 0.0226(4) Uani 1 d .
O10 O 0.7371(2) 0.10273(15) 0.01193(10) 0.0242(5) Uani 1 d .
C40 C 0.4525(2) 0.24494(18) 0.13764(12) 0.0154(5) Uani 1 d .
C41 C 0.4225(3) 0.31673(19) 0.13271(14) 0.0198(5) Uani 1 d .
H41 H 0.4827 0.3672 0.1303 0.024 Uiso 1 calc R
C42 C 0.3050(3) 0.3138(2) 0.13136(14) 0.0205(6) Uani 1 d .
H42 H 0.2875 0.3621 0.1283 0.025 Uiso 1 calc R
C43 C 0.2138(2) 0.2391(2) 0.13450(13) 0.0189(5) Uani 1 d .
H43 H 0.1350 0.2367 0.1334 0.023 Uiso 1 calc R
C44 C 0.2419(2) 0.16789(18) 0.13933(13) 0.0159(5) Uani 1 d .
H44 H 0.1811 0.1178 0.1418 0.019 Uiso 1 calc R
C45 C 0.3602(2) 0.16995(17) 0.14052(12) 0.0128(5) Uani 1 d .
C46 C 0.3842(2) 0.09135(17) 0.14323(12) 0.0130(5) Uani 1 d .
C47 C 0.4535(2) 0.05799(17) 0.09957(12) 0.0135(5) Uani 1 d .
H47 H 0.4747 0.0822 0.0679 0.016 Uiso 1 calc R
C48 C 0.4894(2) -0.01020(17) 0.10382(12) 0.0136(5) Uani 1 d .
H48 H 0.5349 -0.0311 0.0752 0.016 Uiso 1 calc R
C49 C 0.4568(2) -0.04820(17) 0.15188(12) 0.0132(5) Uani 1 d .
C50 C 0.3846(2) -0.01948(17) 0.19138(12) 0.0134(5) Uani 1 d .
C51 C 0.3486(2) 0.05054(17) 0.18723(12) 0.0135(5) Uani 1 d .
C52 C 0.5065(2) -0.11485(17) 0.15825(12) 0.0142(5) Uani 1 d .
C53 C 0.6312(2) -0.09695(17) 0.16098(12) 0.0144(5) Uani 1 d .
C54 C 0.6716(3) -0.16367(19) 0.16603(14) 0.0194(5) Uani 1 d .
H54 H 0.7532 -0.1536 0.1679 0.023 Uiso 1 calc R
C55 C 0.5936(3) -0.24415(19) 0.16832(14) 0.0215(6) Uani 1 d .
H55 H 0.6231 -0.2870 0.1720 0.026 Uiso 1 calc R
C56 C 0.4709(3) -0.26101(18) 0.16512(14) 0.0209(6) Uani 1 d .
H56 H 0.4182 -0.3151 0.1664 0.025 Uiso 1 calc R
C57 C 0.4287(3) -0.19663(18) 0.16002(13) 0.0183(5) Uani 1 d .
H57 H 0.3468 -0.2078 0.1577 0.022 Uiso 1 calc R
C58 C 0.8493(2) 0.04655(19) 0.23151(13) 0.0180(5) Uani 1 d .
H58 H 0.8900 0.1103 0.2404 0.022 Uiso 1 calc R
C59 C 0.9490(3) 0.0091(2) 0.23164(15) 0.0275(7) Uani 1 d .
H59A H 1.0023 0.0399 0.2697 0.041 Uiso 1 calc GR
H59B H 0.9929 0.0166 0.1978 0.041 Uiso 1 calc GR
H59C H 0.9146 -0.0526 0.2275 0.041 Uiso 1 calc GR
C60 C 0.7816(3) 0.0357(2) 0.28656(14) 0.0273(7) Uani 1 d .
H60A H 0.7577 -0.0245 0.2863 0.041 Uiso 1 calc GR
H60B H 0.7118 0.0509 0.2836 0.041 Uiso 1 calc GR
H60C H 0.8329 0.0738 0.3242 0.041 Uiso 1 calc GR
C61 C 0.8246(2) -0.03462(18) 0.09756(12) 0.0152(5) Uani 1 d .
H61 H 0.8567 -0.0732 0.1115 0.018 Uiso 1 calc R
C62 C 0.9305(3) 0.0400(2) 0.08878(14) 0.0211(6) Uani 1 d .
H62A H 0.9821 0.0157 0.0644 0.032 Uiso 1 calc GR
H62B H 0.9742 0.0784 0.1283 0.032 Uiso 1 calc GR
H62C H 0.9017 0.0729 0.0682 0.032 Uiso 1 calc GR
C63 C 0.7423(3) -0.0904(2) 0.03681(13) 0.0217(6) Uani 1 d .
H63A H 0.7020 -0.0563 0.0244 0.033 Uiso 1 calc GR
H63B H 0.6842 -0.1420 0.0423 0.033 Uiso 1 calc GR
H63C H 0.7891 -0.1078 0.0056 0.033 Uiso 1 calc GR
C64 C 0.6669(2) 0.35903(18) 0.21755(13) 0.0164(5) Uani 1 d .
H64 H 0.6683 0.4096 0.2044 0.020 Uiso 1 calc R
C65 C 0.7937(3) 0.37998(19) 0.24730(14) 0.0223(6) Uani 1 d .
H65A H 0.8190 0.4353 0.2799 0.033 Uiso 1 calc GR
H65B H 0.8474 0.3838 0.2168 0.033 Uiso 1 calc GR
H65C H 0.7945 0.3340 0.2638 0.033 Uiso 1 calc GR
C66 C 0.5818(3) 0.3527(2) 0.26631(14) 0.0243(6) Uani 1 d .
H66A H 0.5730 0.3010 0.2780 0.036 Uiso 1 calc GR
H66B H 0.5050 0.3490 0.2497 0.036 Uiso 1 calc GR
H66C H 0.6140 0.4043 0.3019 0.036 Uiso 1 calc GR
C67 C 0.6621(2) 0.30914(18) 0.08456(13) 0.0163(5) Uani 1 d .
H67 H 0.6422 0.3626 0.0937 0.020 Uiso 1 calc R
C68 C 0.5928(3) 0.24814(19) 0.02155(13) 0.0209(6) Uani 1 d .
H68A H 0.6148 0.2778 -0.0088 0.031 Uiso 1 calc GR
H68B H 0.5084 0.2328 0.0234 0.031 Uiso 1 calc GR
H68C H 0.6118 0.1955 0.0104 0.031 Uiso 1 calc GR
C69 C 0.7968(3) 0.3377(2) 0.08312(14) 0.0223(6) Uani 1 d .
H69A H 0.8205 0.2873 0.0764 0.034 Uiso 1 calc GR
H69B H 0.8379 0.3810 0.1217 0.034 Uiso 1 calc GR
H69C H 0.8169 0.3627 0.0503 0.034 Uiso 1 calc GR
C70 C 0.6386(2) 0.15296(18) 0.23671(13) 0.0166(5) Uani 1 d .
C71 C 0.8390(2) 0.20676(17) 0.17091(12) 0.0148(5) Uani 1 d .
C72 C 0.7106(2) 0.11115(18) 0.06079(13) 0.0154(5) Uani 1 d .
C34 C 0.2464(4) 0.2852(2) 0.30483(16) 0.0358(8) Uani 1 d .
H34 H 0.2756 0.2757 0.2671 0.043 Uiso 1 calc R
C35 C 0.3244(3) 0.3153(2) 0.35905(15) 0.0263(6) Uani 1 d .
H35 H 0.4060 0.3272 0.3580 0.032 Uiso 1 calc R
C36 C 0.2794(3) 0.3275(2) 0.41464(14) 0.0233(6) Uani 1 d .
H36 H 0.3313 0.3465 0.4510 0.028 Uiso 1 calc R
C37 C 0.1598(3) 0.3120(2) 0.41738(18) 0.0319(7) Uani 1 d .
H37 H 0.1308 0.3213 0.4552 0.038 Uiso 1 calc R
C38 C 0.0822(4) 0.2819(3) 0.3624(2) 0.0458(10) Uani 1 d .
H38 H 0.0008 0.2704 0.3634 0.055 Uiso 1 calc R
C39 C 0.1266(4) 0.2693(3) 0.30625(19) 0.0449(11) Uani 1 d .
H39 H 0.0751 0.2500 0.2697 0.054 Uiso 1 calc R
C106 C 0.9498(3) 0.7644(2) 0.13526(15) 0.0315(7) Uani 1 d .
H106 H 0.9320 0.7447 0.1691 0.038 Uiso 1 calc R
C107 C 0.8636(3) 0.7320(2) 0.08413(15) 0.0266(6) Uani 1 d .
H107 H 0.7886 0.6907 0.0836 0.032 Uiso 1 calc R
C108 C 0.8905(3) 0.7616(2) 0.03390(14) 0.0241(6) Uani 1 d .
H108 H 0.8331 0.7411 -0.0005 0.029 Uiso 1 calc R
C109 C 1.0029(3) 0.8218(2) 0.03513(16) 0.0332(7) Uani 1 d .
H109 H 1.0214 0.8410 0.0010 0.040 Uiso 1 calc R
C110 C 1.0878(3) 0.8539(2) 0.08635(16) 0.0338(8) Uani 1 d .
H110 H 1.1630 0.8948 0.0869 0.041 Uiso 1 calc R
C111 C 1.0613(3) 0.8253(2) 0.13691(15) 0.0307(7) Uani 1 d .
H111 H 1.1182 0.8469 0.1717 0.037 Uiso 1 calc R
C145 C 0.5382(3) 0.5890(2) 0.00665(15) 0.0275(7) Uani 1 d .
H145 H 0.5639 0.6490 0.0110 0.033 Uiso 1 calc R
C146 C 0.6068(3) 0.5404(2) -0.01969(16) 0.0289(7) Uani 1 d .
H146 H 0.6785 0.5676 -0.0328 0.035 Uiso 1 calc R
C147 C 0.4319(3) 0.5492(2) 0.02647(15) 0.0276(6) Uani 1 d .
H147 H 0.3863 0.5823 0.0443 0.033 Uiso 1 calc R
C151 C 0.8333(4) 0.5895(2) 0.21824(18) 0.0365(8) Uani 1 d .
H151 H 0.9150 0.6007 0.2246 0.044 Uiso 1 calc R
C152 C 0.7703(3) 0.5991(2) 0.26804(16) 0.0294(7) Uani 1 d .
H152 H 0.8100 0.6174 0.3078 0.035 Uiso 1 calc R
C153 C 0.6486(3) 0.5816(2) 0.25897(16) 0.0289(7) Uani 1 d .
H153 H 0.6062 0.5869 0.2925 0.035 Uiso 1 calc R
C154 C 0.5899(4) 0.5561(2) 0.19964(17) 0.0357(8) Uani 1 d .
H154 H 0.5082 0.5449 0.1934 0.043 Uiso 1 calc R
C155 C 0.6523(4) 0.5475(2) 0.15039(18) 0.0431(10) Uani 1 d .
H155 H 0.6127 0.5310 0.1108 0.052 Uiso 1 calc R
C156 C 0.7749(5) 0.5632(2) 0.15890(18) 0.0467(11) Uani 1 d .
H156 H 0.8166 0.5562 0.1252 0.056 Uiso 1 calc R
C175 C 0.1337(3) 0.6112(3) 0.14669(17) 0.0379(8) Uani 1 d .
H175 H 0.1442 0.6673 0.1728 0.046 Uiso 1 calc R
C176 C 0.1175(3) 0.5431(3) 0.17100(19) 0.0377(8) Uani 1 d .
H176 H 0.1181 0.5535 0.2133 0.045 Uiso 1 calc R
C177 C 0.1006(3) 0.4597(3) 0.1327(3) 0.0534(13) Uani 1 d .
H177 H 0.0895 0.4131 0.1485 0.064 Uiso 1 calc R
C178 C 0.1006(4) 0.4467(4) 0.0692(3) 0.0678(18) Uani 1 d .
H178 H 0.0879 0.3906 0.0424 0.081 Uiso 1 calc R
C179 C 0.1190(4) 0.5153(4) 0.0468(2) 0.0623(15) Uani 1 d .
H179 H 0.1211 0.5060 0.0048 0.075 Uiso 1 calc R
C180 C 0.1344(4) 0.5973(4) 0.08465(19) 0.0487(11) Uani 1 d .
H180 H 0.1453 0.6436 0.0686 0.058 Uiso 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'
Mo Mo -1.6832 0.6857 '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
P1 Mo1 P2 174.80(2) . .
P1 Mo1 C8 74.32(6) . .
P1 Mo1 C9 105.97(6) . .
P2 Mo1 C8 109.18(6) . .
P2 Mo1 C9 77.73(6) . .
C8 Mo1 C9 31.71(7) . .
C31 Mo1 P1 89.54(7) . .
C31 Mo1 P2 86.58(7) . .
C31 Mo1 C8 90.98(10) . .
C31 Mo1 C9 93.18(10) . .
C31 Mo1 C33 178.17(10) . .
C32 Mo1 P1 86.58(8) . .
C32 Mo1 P2 90.20(8) . .
C32 Mo1 C8 160.33(9) . .
C32 Mo1 C9 165.78(10) . .
C32 Mo1 C31 93.60(12) . .
C32 Mo1 C33 85.58(12) . .
C33 Mo1 P1 92.04(7) . .
C33 Mo1 P2 91.78(7) . .
C33 Mo1 C8 90.33(10) . .
C33 Mo1 C9 87.27(10) . .
C1 P1 Mo1 120.08(8) . .
C1 P1 C25 102.56(12) . .
C1 P1 C28 99.69(12) . .
C25 P1 Mo1 112.32(9) . .
C28 P1 Mo1 116.96(8) . .
C28 P1 C25 102.78(13) . .
C18 P2 Mo1 120.42(8) . .
C18 P2 C19 98.55(11) . .
C18 P2 C22 97.64(11) . .
C19 P2 Mo1 118.17(8) . .
C22 P2 Mo1 116.56(9) . .
C22 P2 C19 101.64(12) . .
C12 O1 H1 109.5 . .
C11 O2 H2 109.5 . .
C2 C1 P1 119.5(2) . .
C2 C1 C6 117.4(2) . .
C6 C1 P1 123.05(18) . .
C1 C2 H2A 119.0 . .
C3 C2 C1 122.1(3) . .
C3 C2 H2A 119.0 . .
C2 C3 H3 120.0 . .
C4 C3 C2 119.9(2) . .
C4 C3 H3 120.0 . .
C3 C4 H4 120.2 . .
C3 C4 C5 119.6(2) . .
C5 C4 H4 120.2 . .
C4 C5 H5 119.5 . .
C4 C5 C6 120.9(2) . .
C6 C5 H5 119.5 . .
C1 C6 C7 120.2(2) . .
C5 C6 C1 120.0(2) . .
C5 C6 C7 119.7(2) . .
C8 C7 C6 118.4(2) . .
C12 C7 C6 122.9(2) . .
C12 C7 C8 118.6(2) . .
Mo1 C8 H8 89.2 . .
C7 C8 Mo1 106.42(16) . .
C7 C8 H8 119.6 . .
C9 C8 Mo1 74.38(14) . .
C9 C8 C7 120.7(2) . .
C9 C8 H8 119.6 . .
Mo1 C9 H9 88.9 . .
C8 C9 Mo1 73.91(14) . .
C8 C9 H9 120.0 . .
C8 C9 C10 120.1(2) . .
C10 C9 Mo1 107.28(16) . .
C10 C9 H9 120.0 . .
C9 C10 C13 119.1(2) . .
C11 C10 C9 118.7(2) . .
C11 C10 C13 122.1(2) . .
O2 C11 C10 124.3(2) . .
O2 C11 C12 114.3(2) . .
C10 C11 C12 121.2(2) . .
O1 C12 C7 121.4(2) . .
O1 C12 C11 117.9(2) . .
C7 C12 C11 120.5(2) . .
C14 C13 C10 119.1(2) . .
C18 C13 C10 120.4(2) . .
C18 C13 C14 120.6(2) . .
C13 C14 H14 119.7 . .
C15 C14 C13 120.7(3) . .
C15 C14 H14 119.7 . .
C14 C15 H15 120.4 . .
C16 C15 C14 119.1(2) . .
C16 C15 H15 120.4 . .
C15 C16 H16 119.8 . .
C15 C16 C17 120.3(2) . .
C17 C16 H16 119.8 . .
C16 C17 H17 119.1 . .
C16 C17 C18 121.8(3) . .
C18 C17 H17 119.1 . .
C13 C18 P2 122.99(18) . .
C13 C18 C17 117.4(2) . .
C17 C18 P2 119.55(19) . .
P2 C19 H19 107.1 . .
C20 C19 P2 112.60(19) . .
C20 C19 H19 107.1 . .
C21 C19 P2 113.29(19) . .
C21 C19 H19 107.1 . .
C21 C19 C20 109.3(2) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
P2 C22 H22 107.2 . .
C23 C22 P2 112.56(18) . .
C23 C22 H22 107.2 . .
C23 C22 C24 112.0(2) . .
C24 C22 P2 110.39(18) . .
C24 C22 H22 107.2 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
P1 C25 H25 105.9 . .
C26 C25 P1 110.7(2) . .
C26 C25 H25 105.9 . .
C26 C25 C27 108.1(2) . .
C27 C25 P1 119.3(2) . .
C27 C25 H25 105.9 . .
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 . .
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 . .
P1 C28 H28 107.5 . .
C29 C28 P1 111.70(19) . .
C29 C28 H28 107.5 . .
C29 C28 C30 111.9(2) . .
C30 C28 P1 110.63(18) . .
C30 C28 H28 107.5 . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O3 C31 Mo1 178.3(2) . .
O4 C32 Mo1 176.5(3) . .
O5 C33 Mo1 176.1(3) . .
P3 Mo2 C47 76.26(6) . .
P3 Mo2 C48 107.86(6) . .
P4 Mo2 P3 174.72(2) . .
P4 Mo2 C47 107.58(6) . .
P4 Mo2 C48 75.97(6) . .
C48 Mo2 C47 31.62(8) . .
C70 Mo2 P3 87.02(8) . .
C70 Mo2 P4 88.98(8) . .
C70 Mo2 C47 95.59(10) . .
C70 Mo2 C48 95.75(10) . .
C71 Mo2 P3 90.37(8) . .
C71 Mo2 P4 86.43(8) . .
C71 Mo2 C47 163.42(10) . .
C71 Mo2 C48 159.95(10) . .
C71 Mo2 C70 93.42(11) . .
C71 Mo2 C72 84.92(11) . .
C72 Mo2 P3 91.87(7) . .
C72 Mo2 P4 92.03(7) . .
C72 Mo2 C47 85.75(10) . .
C72 Mo2 C48 86.17(10) . .
C72 Mo2 C70 178.00(11) . .
C40 P3 Mo2 119.98(9) . .
C40 P3 C64 98.44(12) . .
C40 P3 C67 98.78(12) . .
C64 P3 Mo2 117.52(9) . .
C67 P3 Mo2 116.95(9) . .
C67 P3 C64 101.51(13) . .
C53 P4 Mo2 120.31(8) . .
C53 P4 C58 103.13(12) . .
C53 P4 C61 98.97(12) . .
C58 P4 Mo2 111.95(9) . .
C61 P4 Mo2 117.09(9) . .
C61 P4 C58 103.00(12) . .
C51 O6 H6 109.5 . .
C50 O7 H7 109.5 . .
C41 C40 P3 118.5(2) . .
C45 C40 P3 123.37(19) . .
C45 C40 C41 117.9(2) . .
C40 C41 H41 119.3 . .
C42 C41 C40 121.5(3) . .
C42 C41 H41 119.3 . .
C41 C42 H42 119.9 . .
C43 C42 C41 120.2(3) . .
C43 C42 H42 119.9 . .
C42 C43 H43 120.5 . .
C42 C43 C44 119.0(2) . .
C44 C43 H43 120.5 . .
C43 C44 H44 119.3 . .
C43 C44 C45 121.3(3) . .
C45 C44 H44 119.3 . .
C40 C45 C44 120.0(2) . .
C40 C45 C46 120.9(2) . .
C44 C45 C46 119.0(2) . .
C47 C46 C45 118.2(2) . .
C51 C46 C45 123.7(2) . .
C51 C46 C47 118.0(2) . .
Mo2 C47 H47 88.4 . .
C46 C47 Mo2 107.88(16) . .
C46 C47 H47 119.6 . .
C48 C47 Mo2 73.76(14) . .
C48 C47 C46 120.7(2) . .
C48 C47 H47 119.6 . .
Mo2 C48 H48 87.7 . .
C47 C48 Mo2 74.62(15) . .
C47 C48 H48 120.0 . .
C47 C48 C49 120.1(2) . .
C49 C48 Mo2 107.73(17) . .
C49 C48 H48 120.0 . .
C48 C49 C52 118.3(2) . .
C50 C49 C48 118.8(2) . .
C50 C49 C52 122.9(2) . .
O7 C50 C51 114.4(2) . .
C49 C50 O7 124.6(2) . .
C49 C50 C51 120.9(2) . .
O6 C51 C46 120.6(2) . .
O6 C51 C50 118.1(2) . .
C46 C51 C50 121.2(2) . .
C53 C52 C49 120.5(2) . .
C57 C52 C49 119.3(2) . .
C57 C52 C53 120.2(2) . .
C52 C53 P4 123.46(19) . .
C54 C53 P4 119.2(2) . .
C54 C53 C52 117.3(2) . .
C53 C54 H54 119.1 . .
C55 C54 C53 121.9(3) . .
C55 C54 H54 119.1 . .
C54 C55 H55 119.9 . .
C54 C55 C56 120.1(3) . .
C56 C55 H55 119.9 . .
C55 C56 H56 120.4 . .
C57 C56 C55 119.3(3) . .
C57 C56 H56 120.4 . .
C52 C57 H57 119.4 . .
C56 C57 C52 121.2(3) . .
C56 C57 H57 119.4 . .
P4 C58 H58 105.6 . .
C59 C58 P4 119.3(2) . .
C59 C58 H58 105.6 . .
C59 C58 C60 108.8(2) . .
C60 C58 P4 110.9(2) . .
C60 C58 H58 105.6 . .
C58 C59 H59A 109.5 . .
C58 C59 H59B 109.5 . .
C58 C59 H59C 109.5 . .
H59A C59 H59B 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C58 C60 H60A 109.5 . .
C58 C60 H60B 109.5 . .
C58 C60 H60C 109.5 . .
H60A C60 H60B 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
P4 C61 H61 107.5 . .
C62 C61 P4 110.90(19) . .
C62 C61 H61 107.5 . .
C62 C61 C63 111.4(2) . .
C63 C61 P4 111.84(18) . .
C63 C61 H61 107.5 . .
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 . .
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 . .
P3 C64 H64 107.0 . .
C65 C64 P3 113.56(19) . .
C65 C64 H64 107.0 . .
C65 C64 C66 109.2(2) . .
C66 C64 P3 112.6(2) . .
C66 C64 H64 107.0 . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H65A C65 H65B 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C64 C66 H66A 109.5 . .
C64 C66 H66B 109.5 . .
C64 C66 H66C 109.5 . .
H66A C66 H66B 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
P3 C67 H67 107.0 . .
C68 C67 P3 111.55(19) . .
C68 C67 H67 107.0 . .
C69 C67 P3 112.74(19) . .
C69 C67 H67 107.0 . .
C69 C67 C68 111.2(2) . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68B 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C69 H69A 109.5 . .
C67 C69 H69B 109.5 . .
C67 C69 H69C 109.5 . .
H69A C69 H69B 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
O8 C70 Mo2 178.0(3) . .
O9 C71 Mo2 175.9(2) . .
O10 C72 Mo2 177.1(2) . .
C35 C34 H34 119.7 . .
C39 C34 H34 119.7 . .
C39 C34 C35 120.7(4) . .
C34 C35 H35 120.5 . .
C36 C35 C34 119.1(3) . .
C36 C35 H35 120.5 . .
C35 C36 H36 119.3 . .
C37 C36 C35 121.5(3) . .
C37 C36 H36 119.3 . .
C36 C37 H37 120.6 . .
C36 C37 C38 118.8(4) . .
C38 C37 H37 120.6 . .
C37 C38 H38 119.9 . .
C39 C38 C37 120.1(4) . .
C39 C38 H38 119.9 . .
C34 C39 C38 119.8(3) . .
C34 C39 H39 120.1 . .
C38 C39 H39 120.1 . .
C107 C106 H106 119.4 . .
C111 C106 H106 119.4 . .
C111 C106 C107 121.3(3) . .
C106 C107 H107 120.4 . .
C108 C107 C106 119.2(3) . .
C108 C107 H107 120.4 . .
C107 C108 H108 120.2 . .
C109 C108 C107 119.7(3) . .
C109 C108 H108 120.2 . .
C108 C109 H109 119.7 . .
C110 C109 C108 120.6(3) . .
C110 C109 H109 119.7 . .
C109 C110 H110 120.0 . .
C109 C110 C111 120.0(3) . .
C111 C110 H110 120.0 . .
C106 C111 C110 119.2(3) . .
C106 C111 H111 120.4 . .
C110 C111 H111 120.4 . .
C146 C145 H145 119.8 . .
C147 C145 H145 119.8 . .
C147 C145 C146 120.5(3) . .
C145 C146 H146 120.1 . .
C145 C146 C147 119.7(3) . 2_665
C147 C146 H146 120.1 2_665 .
C145 C147 C146 119.8(3) . 2_665
C145 C147 H147 120.1 . .
C146 C147 H147 120.1 2_665 .
C152 C151 H151 120.0 . .
C152 C151 C156 120.1(4) . .
C156 C151 H151 120.0 . .
C151 C152 H152 119.8 . .
C153 C152 C151 120.3(3) . .
C153 C152 H152 119.8 . .
C152 C153 H153 120.1 . .
C152 C153 C154 119.8(4) . .
C154 C153 H153 120.1 . .
C153 C154 H154 120.0 . .
C155 C154 C153 120.0(4) . .
C155 C154 H154 120.0 . .
C154 C155 H155 119.6 . .
C154 C155 C156 120.8(3) . .
C156 C155 H155 119.6 . .
C151 C156 C155 119.1(4) . .
C151 C156 H156 120.5 . .
C155 C156 H156 120.5 . .
C176 C175 H175 119.6 . .
C180 C175 H175 119.6 . .
C180 C175 C176 120.9(4) . .
C175 C176 H176 120.0 . .
C177 C176 C175 120.0(4) . .
C177 C176 H176 120.0 . .
C176 C177 H177 120.9 . .
C176 C177 C178 118.2(5) . .
C178 C177 H177 120.9 . .
C177 C178 H178 119.8 . .
C179 C178 C177 120.4(4) . .
C179 C178 H178 119.8 . .
C178 C179 H179 119.4 . .
C178 C179 C180 121.2(5) . .
C180 C179 H179 119.4 . .
C175 C180 H180 120.4 . .
C179 C180 C175 119.3(5) . .
C179 C180 H180 120.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 P1 2.5179(6) .
Mo1 P2 2.5250(6) .
Mo1 C8 2.550(2) .
Mo1 C9 2.556(2) .
Mo1 C31 2.019(3) .
Mo1 C32 1.930(3) .
Mo1 C33 2.027(3) .
P1 C1 1.852(3) .
P1 C25 1.877(3) .
P1 C28 1.865(3) .
P2 C18 1.862(2) .
P2 C19 1.891(3) .
P2 C22 1.870(3) .
O1 H1 0.8200 .
O1 C12 1.363(3) .
O2 H2 0.8200 .
O2 C11 1.371(3) .
O3 C31 1.147(4) .
O4 C32 1.173(3) .
O5 C33 1.150(4) .
C1 C2 1.404(3) .
C1 C6 1.412(3) .
C2 H2A 0.9300 .
C2 C3 1.384(4) .
C3 H3 0.9300 .
C3 C4 1.383(4) .
C4 H4 0.9300 .
C4 C5 1.385(4) .
C5 H5 0.9300 .
C5 C6 1.402(4) .
C6 C7 1.482(3) .
C7 C8 1.416(3) .
C7 C12 1.379(3) .
C8 H8 0.9300 .
C8 C9 1.395(3) .
C9 H9 0.9300 .
C9 C10 1.416(3) .
C10 C11 1.373(3) .
C10 C13 1.475(3) .
C11 C12 1.416(3) .
C13 C14 1.403(3) .
C13 C18 1.402(3) .
C14 H14 0.9300 .
C14 C15 1.392(4) .
C15 H15 0.9300 .
C15 C16 1.384(4) .
C16 H16 0.9300 .
C16 C17 1.387(4) .
C17 H17 0.9300 .
C17 C18 1.404(3) .
C19 H19 0.9800 .
C19 C20 1.533(4) .
C19 C21 1.528(4) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22 0.9800 .
C22 C23 1.529(4) .
C22 C24 1.532(4) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25 0.9800 .
C25 C26 1.524(5) .
C25 C27 1.540(4) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28 0.9800 .
C28 C29 1.526(4) .
C28 C30 1.534(4) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
Mo2 P3 2.5191(7) .
Mo2 P4 2.5151(7) .
Mo2 C47 2.552(2) .
Mo2 C48 2.541(3) .
Mo2 C70 2.033(3) .
Mo2 C71 1.934(3) .
Mo2 C72 2.012(3) .
P3 C40 1.863(3) .
P3 C64 1.882(3) .
P3 C67 1.868(3) .
P4 C53 1.851(3) .
P4 C58 1.886(3) .
P4 C61 1.863(3) .
O6 H6 0.8200 .
O6 C51 1.370(3) .
O7 H7 0.8200 .
O7 C50 1.376(3) .
O8 C70 1.144(4) .
O9 C71 1.169(3) .
O10 C72 1.151(3) .
C40 C41 1.411(4) .
C40 C45 1.394(4) .
C41 H41 0.9300 .
C41 C42 1.389(4) .
C42 H42 0.9300 .
C42 C43 1.387(4) .
C43 H43 0.9300 .
C43 C44 1.387(4) .
C44 H44 0.9300 .
C44 C45 1.404(3) .
C45 C46 1.471(3) .
C46 C47 1.428(4) .
C46 C51 1.375(4) .
C47 H47 0.9300 .
C47 C48 1.388(3) .
C48 H48 0.9300 .
C48 C49 1.425(4) .
C49 C50 1.368(4) .
C49 C52 1.481(4) .
C50 C51 1.417(3) .
C52 C53 1.415(4) .
C52 C57 1.397(4) .
C53 C54 1.401(4) .
C54 H54 0.9300 .
C54 C55 1.385(4) .
C55 H55 0.9300 .
C55 C56 1.394(4) .
C56 H56 0.9300 .
C56 C57 1.378(4) .
C57 H57 0.9300 .
C58 H58 0.9800 .
C58 C59 1.529(4) .
C58 C60 1.535(4) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C61 H61 0.9800 .
C61 C62 1.524(4) .
C61 C63 1.529(4) .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 H64 0.9800 .
C64 C65 1.529(4) .
C64 C66 1.531(4) .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
C67 H67 0.9800 .
C67 C68 1.528(4) .
C67 C69 1.523(4) .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
C69 H69A 0.9600 .
C69 H69B 0.9600 .
C69 H69C 0.9600 .
C34 H34 0.9300 .
C34 C35 1.387(5) .
C34 C39 1.369(6) .
C35 H35 0.9300 .
C35 C36 1.381(4) .
C36 H36 0.9300 .
C36 C37 1.373(5) .
C37 H37 0.9300 .
C37 C38 1.396(6) .
C38 H38 0.9300 .
C38 C39 1.389(7) .
C39 H39 0.9300 .
C106 H106 0.9300 .
C106 C107 1.384(5) .
C106 C111 1.376(5) .
C107 H107 0.9300 .
C107 C108 1.383(4) .
C108 H108 0.9300 .
C108 C109 1.381(5) .
C109 H109 0.9300 .
C109 C110 1.378(5) .
C110 H110 0.9300 .
C110 C111 1.380(5) .
C111 H111 0.9300 .
C145 H145 0.9300 .
C145 C146 1.382(5) .
C145 C147 1.380(5) .
C146 H146 0.9300 .
C146 C147 1.389(5) 2_665
C147 C146 1.389(5) 2_665
C147 H147 0.9300 .
C151 H151 0.9300 .
C151 C152 1.383(5) .
C151 C156 1.385(6) .
C152 H152 0.9300 .
C152 C153 1.382(5) .
C153 H153 0.9300 .
C153 C154 1.388(5) .
C154 H154 0.9300 .
C154 C155 1.367(6) .
C155 H155 0.9300 .
C155 C156 1.397(7) .
C156 H156 0.9300 .
C175 H175 0.9300 .
C175 C176 1.378(5) .
C175 C180 1.369(5) .
C176 H176 0.9300 .
C176 C177 1.375(6) .
C177 H177 0.9300 .
C177 C178 1.403(8) .
C178 H178 0.9300 .
C178 C179 1.354(8) .
C179 H179 0.9300 .
C179 C180 1.358(7) .
C180 H180 0.9300 .
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_4
Mo1 P1 C1 C2 -179.92(18) .
Mo1 P1 C1 C6 4.0(3) .
Mo1 P1 C25 C26 -77.2(2) .
Mo1 P1 C25 C27 156.4(2) .
Mo1 P1 C28 C29 -57.5(2) .
Mo1 P1 C28 C30 67.9(2) .
Mo1 P2 C18 C13 -6.2(2) .
Mo1 P2 C18 C17 175.70(17) .
Mo1 P2 C19 C20 87.29(19) .
Mo1 P2 C19 C21 -37.4(2) .
Mo1 P2 C22 C23 56.6(2) .
Mo1 P2 C22 C24 -69.33(19) .
Mo1 C8 C9 C10 101.0(2) .
Mo1 C9 C10 C11 84.3(2) .
Mo1 C9 C10 C13 -92.6(2) .
P1 Mo1 P2 C18 119.4(2) .
P1 Mo1 P2 C19 -1.2(3) .
P1 Mo1 P2 C22 -122.8(2) .
P1 Mo1 C8 C7 -65.63(15) .
P1 Mo1 C8 C9 176.30(15) .
P1 Mo1 C9 C8 -3.71(15) .
P1 Mo1 C9 C10 -120.85(15) .
P1 Mo1 C31 O3 141(9) .
P1 Mo1 C32 O4 -50(4) .
P1 Mo1 C33 O5 86(3) .
P1 C1 C2 C3 -174.2(2) .
P1 C1 C6 C5 173.8(2) .
P1 C1 C6 C7 -9.3(3) .
P2 Mo1 P1 C1 -107.6(2) .
P2 Mo1 P1 C25 13.0(3) .
P2 Mo1 P1 C28 131.5(2) .
P2 Mo1 C8 C7 110.34(15) .
P2 Mo1 C8 C9 -7.73(15) .
P2 Mo1 C9 C8 172.53(15) .
P2 Mo1 C9 C10 55.39(16) .
P2 Mo1 C31 O3 -43(9) .
P2 Mo1 C32 O4 134(4) .
P2 Mo1 C33 O5 -91(3) .
O2 C11 C12 O1 1.5(3) .
O2 C11 C12 C7 176.9(2) .
C1 P1 C25 C26 53.1(2) .
C1 P1 C25 C27 -73.3(2) .
C1 P1 C28 C29 171.44(18) .
C1 P1 C28 C30 -63.2(2) .
C1 C2 C3 C4 -0.3(5) .
C1 C6 C7 C8 -44.5(3) .
C1 C6 C7 C12 132.9(3) .
C2 C1 C6 C5 -2.4(4) .
C2 C1 C6 C7 174.5(2) .
C2 C3 C4 C5 -1.2(4) .
C3 C4 C5 C6 0.9(4) .
C4 C5 C6 C1 1.0(4) .
C4 C5 C6 C7 -175.9(2) .
C5 C6 C7 C8 132.4(3) .
C5 C6 C7 C12 -50.2(4) .
C6 C1 C2 C3 2.1(4) .
C6 C7 C8 Mo1 93.0(2) .
C6 C7 C8 C9 174.2(2) .
C6 C7 C12 O1 -0.5(4) .
C6 C7 C12 C11 -175.8(2) .
C7 C8 C9 Mo1 -100.1(2) .
C7 C8 C9 C10 0.9(4) .
C8 Mo1 P1 C1 25.35(11) .
C8 Mo1 P1 C25 145.98(12) .
C8 Mo1 P1 C28 -95.52(11) .
C8 Mo1 P2 C18 -12.33(11) .
C8 Mo1 P2 C19 -132.99(12) .
C8 Mo1 P2 C22 105.44(11) .
C8 Mo1 C9 C10 -117.1(2) .
C8 Mo1 C31 O3 66(9) .
C8 Mo1 C32 O4 -36(4) .
C8 Mo1 C33 O5 160(3) .
C8 C7 C12 O1 176.9(2) .
C8 C7 C12 C11 1.6(4) .
C8 C9 C10 C11 3.3(4) .
C8 C9 C10 C13 -173.7(2) .
C9 Mo1 P1 C1 27.37(11) .
C9 Mo1 P1 C25 148.01(12) .
C9 Mo1 P1 C28 -93.49(11) .
C9 Mo1 P2 C18 -16.48(11) .
C9 Mo1 P2 C19 -137.14(12) .
C9 Mo1 P2 C22 101.29(11) .
C9 Mo1 C8 C7 118.1(2) .
C9 Mo1 C31 O3 35(9) .
C9 Mo1 C32 O4 103(4) .
C9 Mo1 C33 O5 -168(3) .
C9 C10 C11 O2 -178.7(2) .
C9 C10 C11 C12 -5.0(4) .
C9 C10 C13 C14 -121.6(3) .
C9 C10 C13 C18 58.4(3) .
C10 C11 C12 O1 -172.9(2) .
C10 C11 C12 C7 2.5(4) .
C10 C13 C14 C15 -178.8(2) .
C10 C13 C18 P2 -0.9(3) .
C10 C13 C18 C17 177.2(2) .
C11 C10 C13 C14 61.6(3) .
C11 C10 C13 C18 -118.4(3) .
C12 C7 C8 Mo1 -84.6(2) .
C12 C7 C8 C9 -3.3(4) .
C13 C10 C11 O2 -1.9(4) .
C13 C10 C11 C12 171.9(2) .
C13 C14 C15 C16 1.5(4) .
C14 C13 C18 P2 179.0(2) .
C14 C13 C18 C17 -2.8(4) .
C14 C15 C16 C17 -2.6(4) .
C15 C16 C17 C18 0.9(4) .
C16 C17 C18 P2 180.0(2) .
C16 C17 C18 C13 1.7(4) .
C18 P2 C19 C20 -44.1(2) .
C18 P2 C19 C21 -168.8(2) .
C18 P2 C22 C23 -173.7(2) .
C18 P2 C22 C24 60.33(19) .
C18 C13 C14 C15 1.2(4) .
C19 P2 C18 C13 123.8(2) .
C19 P2 C18 C17 -54.4(2) .
C19 P2 C22 C23 -73.3(2) .
C19 P2 C22 C24 160.74(18) .
C22 P2 C18 C13 -133.2(2) .
C22 P2 C18 C17 48.7(2) .
C22 P2 C19 C20 -143.80(19) .
C22 P2 C19 C21 91.5(2) .
C25 P1 C1 C2 54.7(2) .
C25 P1 C1 C6 -121.4(2) .
C25 P1 C28 C29 66.1(2) .
C25 P1 C28 C30 -168.57(19) .
C28 P1 C1 C2 -50.8(2) .
C28 P1 C1 C6 133.1(2) .
C28 P1 C25 C26 156.2(2) .
C28 P1 C25 C27 29.8(3) .
C31 Mo1 P1 C1 -65.80(12) .
C31 Mo1 P1 C25 54.84(13) .
C31 Mo1 P1 C28 173.34(12) .
C31 Mo1 P2 C18 77.52(12) .
C31 Mo1 P2 C19 -43.14(13) .
C31 Mo1 P2 C22 -164.70(12) .
C31 Mo1 C8 C7 23.62(17) .
C31 Mo1 C8 C9 -94.46(16) .
C31 Mo1 C9 C8 86.72(16) .
C31 Mo1 C9 C10 -30.42(18) .
C31 Mo1 C32 O4 -139(4) .
C31 Mo1 C33 O5 -64(5) .
C32 Mo1 P1 C1 -159.43(13) .
C32 Mo1 P1 C25 -38.79(14) .
C32 Mo1 P1 C28 79.70(13) .
C32 Mo1 P2 C18 171.11(13) .
C32 Mo1 P2 C19 50.45(13) .
C32 Mo1 P2 C22 -71.11(13) .
C32 Mo1 C8 C7 -79.9(4) .
C32 Mo1 C8 C9 162.0(3) .
C32 Mo1 C9 C8 -154.9(4) .
C32 Mo1 C9 C10 87.9(4) .
C32 Mo1 C31 O3 -133(9) .
C32 Mo1 C33 O5 -1(3) .
C33 Mo1 P1 C1 115.12(13) .
C33 Mo1 P1 C25 -124.24(13) .
C33 Mo1 P1 C28 -5.75(13) .
C33 Mo1 P2 C18 -103.30(12) .
C33 Mo1 P2 C19 136.04(13) .
C33 Mo1 P2 C22 14.47(13) .
C33 Mo1 C8 C7 -157.66(17) .
C33 Mo1 C8 C9 84.27(15) .
C33 Mo1 C9 C8 -95.05(16) .
C33 Mo1 C9 C10 147.81(18) .
C33 Mo1 C31 O3 -70(10) .
C33 Mo1 C32 O4 43(4) .
Mo2 P3 C40 C41 -175.42(19) .
Mo2 P3 C40 C45 10.2(3) .
Mo2 P3 C64 C65 38.0(2) .
Mo2 P3 C64 C66 -86.8(2) .
Mo2 P3 C67 C68 70.8(2) .
Mo2 P3 C67 C69 -55.2(2) .
Mo2 P4 C53 C52 -1.5(3) .
Mo2 P4 C53 C54 178.93(18) .
Mo2 P4 C58 C59 -147.1(2) .
Mo2 P4 C58 C60 85.3(2) .
Mo2 P4 C61 C62 53.4(2) .
Mo2 P4 C61 C63 -71.6(2) .
Mo2 C47 C48 C49 101.9(2) .
Mo2 C48 C49 C50 85.5(2) .
Mo2 C48 C49 C52 -92.2(2) .
P3 Mo2 P4 C53 114.0(2) .
P3 Mo2 P4 C58 -7.3(3) .
P3 Mo2 P4 C61 -125.9(2) .
P3 Mo2 C47 C46 -59.69(16) .
P3 Mo2 C47 C48 -177.43(16) .
P3 Mo2 C48 C47 2.62(16) .
P3 Mo2 C48 C49 -114.64(16) .
P3 Mo2 C70 O8 -61(7) .
P3 Mo2 C71 O9 -115(3) .
P3 Mo2 C72 O10 93(5) .
P3 C40 C41 C42 -174.1(2) .
P3 C40 C45 C44 173.6(2) .
P3 C40 C45 C46 -8.0(4) .
P4 Mo2 P3 C40 -119.2(2) .
P4 Mo2 P3 C64 0.2(3) .
P4 Mo2 P3 C67 121.4(2) .
P4 Mo2 C47 C46 116.56(16) .
P4 Mo2 C47 C48 -1.19(16) .
P4 Mo2 C48 C47 178.83(16) .
P4 Mo2 C48 C49 61.57(16) .
P4 Mo2 C70 O8 116(7) .
P4 Mo2 C71 O9 69(3) .
P4 Mo2 C72 O10 -84(5) .
P4 C53 C54 C55 179.6(2) .
O7 C50 C51 O6 1.5(3) .
O7 C50 C51 C46 177.4(2) .
C40 P3 C64 C65 168.3(2) .
C40 P3 C64 C66 43.5(2) .
C40 P3 C67 C68 -59.4(2) .
C40 P3 C67 C69 174.6(2) .
C40 C41 C42 C43 -0.4(5) .
C40 C45 C46 C47 -49.1(3) .
C40 C45 C46 C51 127.7(3) .
C41 C40 C45 C44 -0.8(4) .
C41 C40 C45 C46 177.6(2) .
C41 C42 C43 C44 0.3(4) .
C42 C43 C44 C45 -0.6(4) .
C43 C44 C45 C40 0.8(4) .
C43 C44 C45 C46 -177.6(2) .
C44 C45 C46 C47 129.3(3) .
C44 C45 C46 C51 -53.9(4) .
C45 C40 C41 C42 0.6(4) .
C45 C46 C47 Mo2 91.9(2) .
C45 C46 C47 C48 173.3(2) .
C45 C46 C51 O6 2.2(4) .
C45 C46 C51 C50 -173.6(2) .
C46 C47 C48 Mo2 -101.5(2) .
C46 C47 C48 C49 0.4(4) .
C47 Mo2 P3 C40 18.05(12) .
C47 Mo2 P3 C64 137.49(12) .
C47 Mo2 P3 C67 -101.37(12) .
C47 Mo2 P4 C53 -22.31(12) .
C47 Mo2 P4 C58 -143.60(12) .
C47 Mo2 P4 C61 97.82(12) .
C47 Mo2 C48 C49 -117.3(2) .
C47 Mo2 C70 O8 -137(7) .
C47 Mo2 C71 O9 -80(3) .
C47 Mo2 C72 O10 169(5) .
C47 C46 C51 O6 179.1(2) .
C47 C46 C51 C50 3.3(4) .
C47 C48 C49 C50 3.4(4) .
C47 C48 C49 C52 -174.3(2) .
C48 Mo2 P3 C40 16.63(12) .
C48 Mo2 P3 C64 136.07(12) .
C48 Mo2 P3 C67 -102.78(12) .
C48 Mo2 P4 C53 -22.95(12) .
C48 Mo2 P4 C58 -144.24(12) .
C48 Mo2 P4 C61 97.18(11) .
C48 Mo2 C47 C46 117.7(2) .
C48 Mo2 C70 O8 -169(7) .
C48 Mo2 C71 O9 40(3) .
C48 Mo2 C72 O10 -159(5) .
C48 C49 C50 O7 179.6(2) .
C48 C49 C50 C51 -3.9(4) .
C48 C49 C52 C53 51.3(3) .
C48 C49 C52 C57 -127.2(3) .
C49 C50 C51 O6 -175.4(2) .
C49 C50 C51 C46 0.5(4) .
C49 C52 C53 P4 1.4(4) .
C49 C52 C53 C54 -179.0(2) .
C49 C52 C57 C56 179.2(3) .
C50 C49 C52 C53 -126.4(3) .
C50 C49 C52 C57 55.2(4) .
C51 C46 C47 Mo2 -85.1(2) .
C51 C46 C47 C48 -3.7(4) .
C52 C49 C50 O7 -2.8(4) .
C52 C49 C50 C51 173.7(2) .
C52 C53 C54 C55 0.0(4) .
C53 P4 C58 C59 82.2(2) .
C53 P4 C58 C60 -45.4(2) .
C53 P4 C61 C62 -175.70(19) .
C53 P4 C61 C63 59.3(2) .
C53 C52 C57 C56 0.7(4) .
C53 C54 C55 C56 0.5(5) .
C54 C55 C56 C57 -0.4(4) .
C55 C56 C57 C52 -0.2(4) .
C57 C52 C53 P4 179.9(2) .
C57 C52 C53 C54 -0.6(4) .
C58 P4 C53 C52 124.0(2) .
C58 P4 C53 C54 -55.6(2) .
C58 P4 C61 C62 -69.9(2) .
C58 P4 C61 C63 165.1(2) .
C61 P4 C53 C52 -130.3(2) .
C61 P4 C53 C54 50.1(2) .
C61 P4 C58 C59 -20.4(3) .
C61 P4 C58 C60 -148.0(2) .
C64 P3 C40 C41 55.9(2) .
C64 P3 C40 C45 -118.5(2) .
C64 P3 C67 C68 -159.95(19) .
C64 P3 C67 C69 74.1(2) .
C67 P3 C40 C41 -47.2(2) .
C67 P3 C40 C45 138.4(2) .
C67 P3 C64 C65 -90.9(2) .
C67 P3 C64 C66 144.4(2) .
C70 Mo2 P3 C40 -78.45(13) .
C70 Mo2 P3 C64 40.99(13) .
C70 Mo2 P3 C67 162.13(13) .
C70 Mo2 P4 C53 73.23(13) .
C70 Mo2 P4 C58 -48.05(13) .
C70 Mo2 P4 C61 -166.64(12) .
C70 Mo2 C47 C46 25.86(19) .
C70 Mo2 C47 C48 -91.89(16) .
C70 Mo2 C48 C47 91.34(16) .
C70 Mo2 C48 C49 -25.93(19) .
C70 Mo2 C71 O9 157(3) .
C70 Mo2 C72 O10 37(6) .
C71 Mo2 P3 C40 -171.86(13) .
C71 Mo2 P3 C64 -52.42(13) .
C71 Mo2 P3 C67 68.72(13) .
C71 Mo2 P4 C53 166.73(13) .
C71 Mo2 P4 C58 45.44(13) .
C71 Mo2 P4 C61 -73.14(13) .
C71 Mo2 C47 C46 -96.8(4) .
C71 Mo2 C47 C48 145.5(3) .
C71 Mo2 C48 C47 -151.9(3) .
C71 Mo2 C48 C49 90.9(3) .
C71 Mo2 C70 O8 29(7) .
C71 Mo2 C72 O10 3(5) .
C72 Mo2 P3 C40 103.21(13) .
C72 Mo2 P3 C64 -137.35(13) .
C72 Mo2 P3 C67 -16.21(12) .
C72 Mo2 P4 C53 -108.49(12) .
C72 Mo2 P4 C58 130.22(13) .
C72 Mo2 P4 C61 11.64(12) .
C72 Mo2 C47 C46 -152.66(19) .
C72 Mo2 C47 C48 89.60(16) .
C72 Mo2 C48 C47 -88.11(16) .
C72 Mo2 C48 C49 154.63(18) .
C72 Mo2 C70 O8 -5(9) .
C72 Mo2 C71 O9 -24(3) .
C34 C35 C36 C37 -1.3(5) .
C35 C34 C39 C38 -1.1(6) .
C35 C36 C37 C38 1.1(5) .
C36 C37 C38 C39 -0.8(5) .
C37 C38 C39 C34 0.8(6) .
C39 C34 C35 C36 1.3(5) .
C106 C107 C108 C109 1.0(5) .
C107 C106 C111 C110 -0.5(6) .
C107 C108 C109 C110 -1.2(5) .
C108 C109 C110 C111 0.6(6) .
C109 C110 C111 C106 0.3(6) .
C111 C106 C107 C108 -0.1(5) .
C146 C145 C147 C146 -0.3(5) 2_665
C147 C145 C146 C147 0.3(5) 2_665
C151 C152 C153 C154 -1.4(5) .
C152 C151 C156 C155 0.5(5) .
C152 C153 C154 C155 0.7(5) .
C153 C154 C155 C156 0.6(5) .
C154 C155 C156 C151 -1.2(5) .
C156 C151 C152 C153 0.8(5) .
C175 C176 C177 C178 0.1(6) .
C176 C175 C180 C179 0.0(6) .
C176 C177 C178 C179 1.2(6) .
C177 C178 C179 C180 -1.9(7) .
C178 C179 C180 C175 1.3(7) .
C180 C175 C176 C177 -0.7(6) .
