#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:42:00 +0100 (vie 25 de mar de 2016) $
#$Revision: 179803 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/99/7009943.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_7009943
loop_
_publ_author_name
'Davies, John E.'
'Mays, Martin J.'
'Raithby, Paul R.'
'Sarveswaran, Koshala'
'Solan, Gregory A.'
_publ_section_title
;
 Synthesis of three-membered metallaphosphaheterocycles and their ring
 opening with Ph2PH on mixed-metal molybdenum--cobalt
 centres †
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3331
_journal_paper_doi               10.1039/b004594m
_journal_year                    2000
_chemical_formula_sum            'C34 H30 Co Mo O3 P'
_chemical_formula_weight         672.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 119.27(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.771(19)
_cell_length_b                   28.163(12)
_cell_length_c                   11.014(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      12.5
_cell_volume                     2914(6)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       'omega/2theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0855
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -999
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -999
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7863
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.088
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_description       block
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.075
_refine_diff_density_min         -1.747
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.063
_refine_ls_goodness_of_fit_obs   1.107
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         5095
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_restrained_S_obs      1.107
_refine_ls_R_factor_all          0.1059
_refine_ls_R_factor_obs          0.0701
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1022P)²+6.9089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2035
_refine_ls_wR_factor_obs         0.1743
_reflns_number_observed          3512
_reflns_number_total             5102
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b004594m.txt
_cod_data_source_block           mm9810
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1022P)^2^+6.9089P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1022P)^2^+6.9089P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2914.5(62)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7009943
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mo1 Mo 1.77233(7) 0.09612(2) 0.27485(7) 0.0306(2) Uani 1 d . .
Co1 Co 1.88608(11) 0.15502(4) 0.15873(12) 0.0347(3) Uani 1 d . .
P1 P 1.5982(2) 0.09267(7) 0.0304(2) 0.0312(5) Uani 1 d . .
O5 O 2.0342(6) 0.0408(2) 0.2971(7) 0.050(2) Uani 1 d . .
C5 C 1.9381(8) 0.0640(3) 0.2832(9) 0.039(2) Uani 1 d . .
O6 O 2.1840(7) 0.1353(3) 0.2620(8) 0.073(2) Uani 1 d . .
C6 C 2.0685(9) 0.1438(3) 0.2285(10) 0.047(2) Uani 1 d . .
O7 O 1.8469(7) 0.1643(3) -0.1188(7) 0.060(2) Uani 1 d . .
C7 C 1.8608(9) 0.1589(3) -0.0094(10) 0.043(2) Uani 1 d . .
C81 C 1.6238(10) 0.0415(3) 0.3072(9) 0.042(2) Uani 1 d . .
H81 H 1.5580(10) 0.0217(3) 0.2343(9) 0.050 Uiso 1 calc R .
C82 C 1.7644(10) 0.0292(3) 0.4018(10) 0.049(2) Uani 1 d . .
H82 H 1.8103(10) 0.0001(3) 0.4039(10) 0.059 Uiso 1 calc R .
C83 C 1.8261(9) 0.0682(4) 0.4943(9) 0.049(2) Uani 1 d . .
H83 H 1.9206(9) 0.0702(4) 0.5697(9) 0.058 Uiso 1 calc R .
C84 C 1.7198(10) 0.1033(3) 0.4525(10) 0.049(2) Uani 1 d . .
H84 H 1.7311(10) 0.1333(3) 0.4965(10) 0.058 Uiso 1 calc R .
C85 C 1.5938(9) 0.0873(3) 0.3353(9) 0.043(2) Uani 1 d . .
H85 H 1.5067(9) 0.1041(3) 0.2857(9) 0.051 Uiso 1 calc R .
C71 C 1.6175(8) 0.2292(3) 0.0164(9) 0.033(2) Uani 1 d . .
C72 C 1.5957(9) 0.2742(3) 0.0536(10) 0.042(2) Uani 1 d . .
H72 H 1.6444(9) 0.2835(3) 0.1487(10) 0.050 Uiso 1 calc R .
C73 C 1.5032(10) 0.3059(3) -0.0471(11) 0.049(2) Uani 1 d . .
H73 H 1.4844(10) 0.3358(3) -0.0200(11) 0.058 Uiso 1 calc R .
C74 C 1.4386(9) 0.2938(3) -0.1861(10) 0.048(2) Uani 1 d . .
H74 H 1.3771(9) 0.3156(3) -0.2553(10) 0.057 Uiso 1 calc R .
C75 C 1.4646(8) 0.2500(3) -0.2228(9) 0.044(2) Uani 1 d . .
H75 H 1.4220(8) 0.2420(3) -0.3187(9) 0.053 Uiso 1 calc R .
C76 C 1.5503(8) 0.2172(3) -0.1252(9) 0.039(2) Uani 1 d . .
H76 H 1.5639(8) 0.1867(3) -0.1534(9) 0.046 Uiso 1 calc R .
C51 C 1.4074(8) 0.0951(3) -0.0275(8) 0.033(2) Uani 1 d . .
C52 C 1.3231(8) 0.0556(3) -0.0818(9) 0.040(2) Uani 1 d . .
H52 H 1.3640(8) 0.0268(3) -0.0909(9) 0.048 Uiso 1 calc R .
C53 C 1.1789(9) 0.0572(3) -0.1236(10) 0.049(2) Uani 1 d . .
H53 H 1.1214(9) 0.0298(3) -0.1621(10) 0.059 Uiso 1 calc R .
C54 C 1.1190(9) 0.0988(3) -0.1089(10) 0.045(2) Uani 1 d . .
H54 H 1.0204(9) 0.0999(3) -0.1370(10) 0.054 Uiso 1 calc R .
C55 C 1.2022(9) 0.1387(3) -0.0537(10) 0.047(2) Uani 1 d . .
H55 H 1.1615(9) 0.1672(3) -0.0433(10) 0.056 Uiso 1 calc R .
C56 C 1.3472(8) 0.1367(3) -0.0132(8) 0.038(2) Uani 1 d . .
H56 H 1.4048(8) 0.1642(3) 0.0245(8) 0.045 Uiso 1 calc R .
C61 C 1.6092(8) 0.0725(3) -0.1201(8) 0.032(2) Uani 1 d . .
C62 C 1.7257(9) 0.0460(3) -0.0988(10) 0.042(2) Uani 1 d . .
H62 H 1.7997(9) 0.0399(3) -0.0068(10) 0.051 Uiso 1 calc R .
C63 C 1.7352(11) 0.0282(3) -0.2121(11) 0.051(2) Uani 1 d . .
H63 H 1.8149(11) 0.0096(3) -0.1973(11) 0.062 Uiso 1 calc R .
C64 C 1.6289(11) 0.0376(3) -0.3452(11) 0.052(2) Uani 1 d . .
H64 H 1.6353(11) 0.0254(3) -0.4224(11) 0.063 Uiso 1 calc R .
C65 C 1.5143(11) 0.0644(3) -0.3669(9) 0.048(2) Uani 1 d . .
H65 H 1.4415(11) 0.0710(3) -0.4592(9) 0.058 Uiso 1 calc R .
C66 C 1.5033(9) 0.0821(3) -0.2550(9) 0.043(2) Uani 1 d . .
H66 H 1.4233(9) 0.1007(3) -0.2707(9) 0.051 Uiso 1 calc R .
C1 C 1.6819(8) 0.1436(3) 0.1144(9) 0.035(2) Uani 1 d . .
C2 C 1.7052(8) 0.1943(3) 0.1245(8) 0.031(2) Uani 1 d . .
C3 C 1.8194(8) 0.2045(3) 0.2583(9) 0.039(2) Uani 1 d . .
H3 H 1.8483(8) 0.2363(3) 0.2877(9) 0.047 Uiso 1 calc R .
C4 C 1.8889(8) 0.1656(3) 0.3466(9) 0.038(2) Uani 1 d . .
C8 C 2.0206(9) 0.1791(3) 0.4870(10) 0.048(2) Uani 1 d . .
C9 C 2.1021(11) 0.2223(4) 0.4758(11) 0.065(3) Uani 1 d . .
H9A H 2.1345(60) 0.2155(9) 0.4085(51) 0.078 Uiso 1 calc R .
H9B H 2.1846(41) 0.2289(15) 0.5671(18) 0.078 Uiso 1 calc R .
H9C H 2.0391(23) 0.2501(6) 0.4447(66) 0.078 Uiso 1 calc R .
C10 C 1.9672(11) 0.1928(4) 0.5899(10) 0.066(3) Uani 1 d . .
H10A H 2.0471(17) 0.2048(22) 0.6764(28) 0.079 Uiso 1 calc R .
H10B H 1.9265(62) 0.1648(7) 0.6101(52) 0.079 Uiso 1 calc R .
H10C H 1.8942(50) 0.2176(17) 0.5482(29) 0.079 Uiso 1 calc R .
C11 C 2.1285(9) 0.1386(3) 0.5528(9) 0.051(2) Uani 1 d . .
H11A H 2.1729(45) 0.1320(14) 0.4953(33) 0.061 Uiso 1 calc R .
H11B H 2.0796(14) 0.1101(7) 0.5586(56) 0.061 Uiso 1 calc R .
H11C H 2.2019(35) 0.1479(9) 0.6464(25) 0.061 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'
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'
Co Co 0.3494 0.9721 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 Mo1 C1 112.4(3) . . ?
C5 Mo1 C4 92.6(3) . . ?
C1 Mo1 C4 71.5(3) . . ?
C5 Mo1 C84 126.7(4) . . ?
C1 Mo1 C84 117.8(3) . . ?
C4 Mo1 C84 87.2(3) . . ?
C5 Mo1 C83 92.1(3) . . ?
C1 Mo1 C83 152.8(3) . . ?
C4 Mo1 C83 96.7(3) . . ?
C84 Mo1 C83 35.4(3) . . ?
C5 Mo1 C85 142.6(3) . . ?
C1 Mo1 C85 101.8(3) . . ?
C4 Mo1 C85 112.9(3) . . ?
C84 Mo1 C85 35.5(3) . . ?
C83 Mo1 C85 59.3(3) . . ?
C5 Mo1 C81 111.0(3) . . ?
C1 Mo1 C81 118.9(3) . . ?
C4 Mo1 C81 144.5(3) . . ?
C84 Mo1 C81 57.5(3) . . ?
C83 Mo1 C81 57.9(3) . . ?
C85 Mo1 C81 34.6(3) . . ?
C5 Mo1 C82 84.2(3) . . ?
C1 Mo1 C82 152.9(3) . . ?
C4 Mo1 C82 131.2(3) . . ?
C84 Mo1 C82 58.2(3) . . ?
C83 Mo1 C82 35.2(3) . . ?
C85 Mo1 C82 58.4(3) . . ?
C81 Mo1 C82 34.3(3) . . ?
C5 Mo1 P1 103.1(3) . . ?
C1 Mo1 P1 44.0(2) . . ?
C4 Mo1 P1 115.0(2) . . ?
C84 Mo1 P1 124.9(3) . . ?
C83 Mo1 P1 143.7(2) . . ?
C85 Mo1 P1 90.8(3) . . ?
C81 Mo1 P1 85.9(2) . . ?
C82 Mo1 P1 113.1(3) . . ?
C5 Mo1 Co1 72.3(2) . . ?
C1 Mo1 Co1 47.9(2) . . ?
C4 Mo1 Co1 48.2(2) . . ?
C84 Mo1 Co1 134.5(2) . . ?
C83 Mo1 Co1 138.8(2) . . ?
C85 Mo1 Co1 145.2(2) . . ?
C81 Mo1 Co1 163.3(2) . . ?
C82 Mo1 Co1 156.1(2) . . ?
P1 Mo1 Co1 77.50(11) . . ?
C7 Co1 C6 92.1(4) . . ?
C7 Co1 C1 99.6(4) . . ?
C6 Co1 C1 157.8(4) . . ?
C7 Co1 C4 166.2(4) . . ?
C6 Co1 C4 97.0(4) . . ?
C1 Co1 C4 75.5(3) . . ?
C7 Co1 C3 126.7(4) . . ?
C6 Co1 C3 119.0(4) . . ?
C1 Co1 C3 68.0(3) . . ?
C4 Co1 C3 39.5(3) . . ?
C7 Co1 C2 97.3(3) . . ?
C6 Co1 C2 155.8(4) . . ?
C1 Co1 C2 40.8(3) . . ?
C4 Co1 C2 70.4(3) . . ?
C3 Co1 C2 39.2(3) . . ?
C7 Co1 Mo1 131.8(3) . . ?
C6 Co1 Mo1 110.5(3) . . ?
C1 Co1 Mo1 48.2(2) . . ?
C4 Co1 Mo1 53.9(2) . . ?
C3 Co1 Mo1 79.2(2) . . ?
C2 Co1 Mo1 79.4(2) . . ?
C1 P1 C61 120.4(4) . . ?
C1 P1 C51 111.3(4) . . ?
C61 P1 C51 104.9(4) . . ?
C1 P1 Mo1 56.3(3) . . ?
C61 P1 Mo1 132.1(3) . . ?
C51 P1 Mo1 120.9(3) . . ?
O5 C5 Mo1 172.1(7) . . ?
O6 C6 Co1 173.7(9) . . ?
O7 C7 Co1 175.8(9) . . ?
C82 C81 C85 110.3(8) . . ?
C82 C81 Mo1 73.0(5) . . ?
C85 C81 Mo1 71.4(5) . . ?
C82 C81 H81 124.8(6) . . ?
C85 C81 H81 124.8(5) . . ?
Mo1 C81 H81 122.3(2) . . ?
C81 C82 C83 107.3(8) . . ?
C81 C82 Mo1 72.6(5) . . ?
C83 C82 Mo1 70.7(5) . . ?
C81 C82 H82 126.4(6) . . ?
C83 C82 H82 126.4(5) . . ?
Mo1 C82 H82 122.0(2) . . ?
C84 C83 C82 106.8(8) . . ?
C84 C83 Mo1 71.0(5) . . ?
C82 C83 Mo1 74.1(5) . . ?
C84 C83 H83 126.6(6) . . ?
C82 C83 H83 126.6(5) . . ?
Mo1 C83 H83 120.2(2) . . ?
C83 C84 C85 109.8(9) . . ?
C83 C84 Mo1 73.6(5) . . ?
C85 C84 Mo1 73.7(5) . . ?
C83 C84 H84 125.1(6) . . ?
C85 C84 H84 125.1(5) . . ?
Mo1 C84 H84 119.3(2) . . ?
C81 C85 C84 105.9(8) . . ?
C81 C85 Mo1 74.0(5) . . ?
C84 C85 Mo1 70.7(5) . . ?
C81 C85 H85 127.0(5) . . ?
C84 C85 H85 127.0(5) . . ?
Mo1 C85 H85 120.2(2) . . ?
C72 C71 C76 118.6(7) . . ?
C72 C71 C2 120.3(8) . . ?
C76 C71 C2 121.1(7) . . ?
C71 C72 C73 120.6(9) . . ?
C71 C72 H72 119.7(5) . . ?
C73 C72 H72 119.7(6) . . ?
C74 C73 C72 120.2(9) . . ?
C74 C73 H73 119.9(5) . . ?
C72 C73 H73 119.9(6) . . ?
C75 C74 C73 119.0(8) . . ?
C75 C74 H74 120.5(5) . . ?
C73 C74 H74 120.5(5) . . ?
C74 C75 C76 122.0(8) . . ?
C74 C75 H75 119.0(5) . . ?
C76 C75 H75 119.0(5) . . ?
C75 C76 C71 119.4(8) . . ?
C75 C76 H76 120.3(5) . . ?
C71 C76 H76 120.3(5) . . ?
C52 C51 C56 119.3(7) . . ?
C52 C51 P1 120.7(6) . . ?
C56 C51 P1 120.0(6) . . ?
C51 C52 C53 120.7(8) . . ?
C51 C52 H52 119.6(5) . . ?
C53 C52 H52 119.6(5) . . ?
C54 C53 C52 119.9(8) . . ?
C54 C53 H53 120.1(5) . . ?
C52 C53 H53 120.1(5) . . ?
C55 C54 C53 120.0(8) . . ?
C55 C54 H54 120.0(5) . . ?
C53 C54 H54 120.0(5) . . ?
C54 C55 C56 119.5(8) . . ?
C54 C55 H55 120.2(5) . . ?
C56 C55 H55 120.2(5) . . ?
C51 C56 C55 120.5(8) . . ?
C51 C56 H56 119.7(5) . . ?
C55 C56 H56 119.7(5) . . ?
C62 C61 C66 119.4(8) . . ?
C62 C61 P1 118.4(6) . . ?
C66 C61 P1 122.2(6) . . ?
C61 C62 C63 120.1(9) . . ?
C61 C62 H62 119.9(5) . . ?
C63 C62 H62 119.9(6) . . ?
C64 C63 C62 119.9(9) . . ?
C64 C63 H63 120.1(6) . . ?
C62 C63 H63 120.1(6) . . ?
C65 C64 C63 120.2(9) . . ?
C65 C64 H64 119.9(6) . . ?
C63 C64 H64 119.9(6) . . ?
C64 C65 C66 120.4(9) . . ?
C64 C65 H65 119.8(6) . . ?
C66 C65 H65 119.8(6) . . ?
C61 C66 C65 120.0(9) . . ?
C61 C66 H66 120.0(5) . . ?
C65 C66 H66 120.0(6) . . ?
C2 C1 P1 154.0(7) . . ?
C2 C1 Co1 72.4(4) . . ?
P1 C1 Co1 119.1(4) . . ?
C2 C1 Mo1 126.1(6) . . ?
P1 C1 Mo1 79.7(3) . . ?
Co1 C1 Mo1 83.9(3) . . ?
C3 C2 C1 108.1(7) . . ?
C3 C2 C71 126.5(7) . . ?
C1 C2 C71 125.3(7) . . ?
C3 C2 Co1 70.3(5) . . ?
C1 C2 Co1 66.7(4) . . ?
C71 C2 Co1 131.7(6) . . ?
C2 C3 C4 117.3(7) . . ?
C2 C3 Co1 70.5(5) . . ?
C4 C3 Co1 69.1(5) . . ?
C2 C3 H3 121.3(5) . . ?
C4 C3 H3 121.3(5) . . ?
Co1 C3 H3 131.5(2) . . ?
C3 C4 C8 114.5(7) . . ?
C3 C4 Co1 71.4(5) . . ?
C8 C4 Co1 126.2(6) . . ?
C3 C4 Mo1 114.6(6) . . ?
C8 C4 Mo1 130.2(6) . . ?
Co1 C4 Mo1 77.9(3) . . ?
C11 C8 C9 107.2(8) . . ?
C11 C8 C10 107.8(8) . . ?
C9 C8 C10 107.0(8) . . ?
C11 C8 C4 113.6(7) . . ?
C9 C8 C4 113.1(8) . . ?
C10 C8 C4 107.8(7) . . ?
C8 C9 H9A 109.5(6) . . ?
C8 C9 H9B 109.5(5) . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5(5) . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5(5) . . ?
C8 C10 H10B 109.5(6) . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5(5) . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5(6) . . ?
C8 C11 H11B 109.5(5) . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5(5) . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 C5 1.963(9) . ?
Mo1 C1 2.043(9) . ?
Mo1 C4 2.250(8) . ?
Mo1 C84 2.296(9) . ?
Mo1 C83 2.330(9) . ?
Mo1 C85 2.335(9) . ?
Mo1 C81 2.368(9) . ?
Mo1 C82 2.373(8) . ?
Mo1 P1 2.416(4) . ?
Mo1 Co1 2.724(2) . ?
Co1 C7 1.739(10) . ?
Co1 C6 1.753(9) . ?
Co1 C1 2.032(8) . ?
Co1 C4 2.076(9) . ?
Co1 C3 2.106(9) . ?
Co1 C2 2.109(8) . ?
P1 C1 1.705(8) . ?
P1 C61 1.810(8) . ?
P1 C51 1.832(8) . ?
O5 C5 1.169(10) . ?
O6 C6 1.138(10) . ?
O7 C7 1.149(11) . ?
C81 C82 1.399(13) . ?
C81 C85 1.400(12) . ?
C81 H81 0.95 . ?
C82 C83 1.424(13) . ?
C82 H82 0.95 . ?
C83 C84 1.408(13) . ?
C83 H83 0.95 . ?
C84 C85 1.414(13) . ?
C84 H84 0.95 . ?
C85 H85 0.95 . ?
C71 C72 1.386(11) . ?
C71 C76 1.403(12) . ?
C71 C2 1.474(10) . ?
C72 C73 1.393(12) . ?
C72 H72 0.95 . ?
C73 C74 1.378(14) . ?
C73 H73 0.95 . ?
C74 C75 1.369(13) . ?
C74 H74 0.95 . ?
C75 C76 1.375(12) . ?
C75 H75 0.95 . ?
C76 H76 0.95 . ?
C51 C52 1.376(11) . ?
C51 C56 1.385(11) . ?
C52 C53 1.388(12) . ?
C52 H52 0.95 . ?
C53 C54 1.386(13) . ?
C53 H53 0.95 . ?
C54 C55 1.378(12) . ?
C54 H54 0.95 . ?
C55 C56 1.399(11) . ?
C55 H55 0.95 . ?
C56 H56 0.95 . ?
C61 C62 1.379(11) . ?
C61 C66 1.387(12) . ?
C62 C63 1.394(13) . ?
C62 H62 0.95 . ?
C63 C64 1.375(14) . ?
C63 H63 0.95 . ?
C64 C65 1.365(14) . ?
C64 H64 0.95 . ?
C65 C66 1.387(12) . ?
C65 H65 0.95 . ?
C66 H66 0.95 . ?
C1 C2 1.446(10) . ?
C2 C3 1.412(11) . ?
C3 C4 1.413(11) . ?
C3 H3 0.95 . ?
C4 C8 1.550(12) . ?
C8 C11 1.535(12) . ?
C8 C9 1.540(13) . ?
C8 C10 1.549(14) . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
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
_geom_torsion_publ_flag
C5 Mo1 Co1 C7 85.7(5) . . . . ?
C1 Mo1 Co1 C7 -60.1(5) . . . . ?
C4 Mo1 Co1 C7 -163.7(5) . . . . ?
C84 Mo1 Co1 C7 -149.8(5) . . . . ?
C83 Mo1 Co1 C7 157.9(5) . . . . ?
C85 Mo1 Co1 C7 -95.6(5) . . . . ?
C81 Mo1 Co1 C7 -18.6(8) . . . . ?
C82 Mo1 Co1 C7 96.9(7) . . . . ?
P1 Mo1 Co1 C7 -22.6(4) . . . . ?
C5 Mo1 Co1 C6 -27.0(4) . . . . ?
C1 Mo1 Co1 C6 -172.8(5) . . . . ?
C4 Mo1 Co1 C6 83.6(4) . . . . ?
C84 Mo1 Co1 C6 97.5(5) . . . . ?
C83 Mo1 Co1 C6 45.2(5) . . . . ?
C85 Mo1 Co1 C6 151.7(5) . . . . ?
C81 Mo1 Co1 C6 -131.3(8) . . . . ?
C82 Mo1 Co1 C6 -15.8(7) . . . . ?
P1 Mo1 Co1 C6 -135.3(4) . . . . ?
C5 Mo1 Co1 C1 145.9(4) . . . . ?
C1 Mo1 Co1 C1 0.0 . . . . ?
C4 Mo1 Co1 C1 -103.6(4) . . . . ?
C84 Mo1 Co1 C1 -89.7(5) . . . . ?
C83 Mo1 Co1 C1 -142.0(5) . . . . ?
C85 Mo1 Co1 C1 -35.5(5) . . . . ?
C81 Mo1 Co1 C1 41.6(8) . . . . ?
C82 Mo1 Co1 C1 157.0(7) . . . . ?
P1 Mo1 Co1 C1 37.5(3) . . . . ?
C5 Mo1 Co1 C4 -110.5(4) . . . . ?
C1 Mo1 Co1 C4 103.6(4) . . . . ?
C4 Mo1 Co1 C4 0.0 . . . . ?
C84 Mo1 Co1 C4 13.9(4) . . . . ?
C83 Mo1 Co1 C4 -38.4(5) . . . . ?
C85 Mo1 Co1 C4 68.1(5) . . . . ?
C81 Mo1 Co1 C4 145.2(8) . . . . ?
C82 Mo1 Co1 C4 -99.4(7) . . . . ?
P1 Mo1 Co1 C4 141.1(3) . . . . ?
C5 Mo1 Co1 C3 -144.1(3) . . . . ?
C1 Mo1 Co1 C3 70.1(4) . . . . ?
C4 Mo1 Co1 C3 -33.5(3) . . . . ?
C84 Mo1 Co1 C3 -19.6(4) . . . . ?
C83 Mo1 Co1 C3 -71.9(4) . . . . ?
C85 Mo1 Co1 C3 34.6(4) . . . . ?
C81 Mo1 Co1 C3 111.6(8) . . . . ?
C82 Mo1 Co1 C3 -132.9(7) . . . . ?
P1 Mo1 Co1 C3 107.6(2) . . . . ?
C5 Mo1 Co1 C2 176.0(3) . . . . ?
C1 Mo1 Co1 C2 30.2(4) . . . . ?
C4 Mo1 Co1 C2 -73.4(3) . . . . ?
C84 Mo1 Co1 C2 -59.5(4) . . . . ?
C83 Mo1 Co1 C2 -111.8(4) . . . . ?
C85 Mo1 Co1 C2 -5.3(4) . . . . ?
C81 Mo1 Co1 C2 71.7(8) . . . . ?
C82 Mo1 Co1 C2 -172.8(7) . . . . ?
P1 Mo1 Co1 C2 67.7(2) . . . . ?
C5 Mo1 P1 C1 -108.8(4) . . . . ?
C1 Mo1 P1 C1 0.000(1) . . . . ?
C4 Mo1 P1 C1 -9.5(4) . . . . ?
C84 Mo1 P1 C1 95.5(4) . . . . ?
C83 Mo1 P1 C1 138.8(5) . . . . ?
C85 Mo1 P1 C1 106.3(4) . . . . ?
C81 Mo1 P1 C1 140.6(4) . . . . ?
C82 Mo1 P1 C1 162.0(4) . . . . ?
Co1 Mo1 P1 C1 -40.6(3) . . . . ?
C5 Mo1 P1 C61 -6.2(4) . . . . ?
C1 Mo1 P1 C61 102.6(5) . . . . ?
C4 Mo1 P1 C61 93.1(4) . . . . ?
C84 Mo1 P1 C61 -161.9(4) . . . . ?
C83 Mo1 P1 C61 -118.6(5) . . . . ?
C85 Mo1 P1 C61 -151.1(4) . . . . ?
C81 Mo1 P1 C61 -116.8(4) . . . . ?
C82 Mo1 P1 C61 -95.4(4) . . . . ?
Co1 Mo1 P1 C61 62.0(4) . . . . ?
C5 Mo1 P1 C51 155.0(4) . . . . ?
C1 Mo1 P1 C51 -96.2(4) . . . . ?
C4 Mo1 P1 C51 -105.8(4) . . . . ?
C84 Mo1 P1 C51 -0.7(4) . . . . ?
C83 Mo1 P1 C51 42.6(5) . . . . ?
C85 Mo1 P1 C51 10.0(4) . . . . ?
C81 Mo1 P1 C51 44.3(4) . . . . ?
C82 Mo1 P1 C51 65.7(4) . . . . ?
Co1 Mo1 P1 C51 -136.8(3) . . . . ?
C1 Mo1 C5 O5 -159.5(52) . . . . ?
C4 Mo1 C5 O5 129.4(53) . . . . ?
C84 Mo1 C5 O5 40.9(54) . . . . ?
C83 Mo1 C5 O5 32.7(53) . . . . ?
C85 Mo1 C5 O5 -5.0(56) . . . . ?
C81 Mo1 C5 O5 -23.6(54) . . . . ?
C82 Mo1 C5 O5 -1.7(53) . . . . ?
P1 Mo1 C5 O5 -114.1(53) . . . . ?
Co1 Mo1 C5 O5 173.8(54) . . . . ?
C7 Co1 C6 O6 -20.9(79) . . . . ?
C1 Co1 C6 O6 101.3(77) . . . . ?
C4 Co1 C6 O6 169.5(78) . . . . ?
C3 Co1 C6 O6 -155.7(78) . . . . ?
C2 Co1 C6 O6 -134.0(76) . . . . ?
Mo1 Co1 C6 O6 115.6(78) . . . . ?
C6 Co1 C7 O7 -83.0(106) . . . . ?
C1 Co1 C7 O7 115.9(106) . . . . ?
C4 Co1 C7 O7 48.1(114) . . . . ?
C3 Co1 C7 O7 46.2(107) . . . . ?
C2 Co1 C7 O7 74.6(106) . . . . ?
Mo1 Co1 C7 O7 156.9(104) . . . . ?
C5 Mo1 C81 C82 41.0(6) . . . . ?
C1 Mo1 C81 C82 173.7(5) . . . . ?
C4 Mo1 C81 C82 -87.6(7) . . . . ?
C84 Mo1 C81 C82 -79.9(6) . . . . ?
C83 Mo1 C81 C82 -37.7(6) . . . . ?
C85 Mo1 C81 C82 -119.1(8) . . . . ?
C82 Mo1 C81 C82 0.000(2) . . . . ?
P1 Mo1 C81 C82 143.5(6) . . . . ?
Co1 Mo1 C81 C82 139.5(7) . . . . ?
C5 Mo1 C81 C85 160.1(5) . . . . ?
C1 Mo1 C81 C85 -67.2(6) . . . . ?
C4 Mo1 C81 C85 31.4(8) . . . . ?
C84 Mo1 C81 C85 39.1(5) . . . . ?
C83 Mo1 C81 C85 81.3(6) . . . . ?
C85 Mo1 C81 C85 0.000(1) . . . . ?
C82 Mo1 C81 C85 119.1(8) . . . . ?
P1 Mo1 C81 C85 -97.5(5) . . . . ?
Co1 Mo1 C81 C85 -101.4(8) . . . . ?
C85 C81 C82 C83 0.6(10) . . . . ?
Mo1 C81 C82 C83 62.6(6) . . . . ?
C85 C81 C82 Mo1 -62.1(6) . . . . ?
Mo1 C81 C82 Mo1 0.0 . . . . ?
C5 Mo1 C82 C81 -142.0(6) . . . . ?
C1 Mo1 C82 C81 -12.1(10) . . . . ?
C4 Mo1 C82 C81 129.5(6) . . . . ?
C84 Mo1 C82 C81 77.7(6) . . . . ?
C83 Mo1 C82 C81 116.0(8) . . . . ?
C85 Mo1 C82 C81 35.7(5) . . . . ?
C81 Mo1 C82 C81 0.0 . . . . ?
P1 Mo1 C82 C81 -40.2(6) . . . . ?
Co1 Mo1 C82 C81 -152.7(5) . . . . ?
C5 Mo1 C82 C83 102.0(6) . . . . ?
C1 Mo1 C82 C83 -128.1(8) . . . . ?
C4 Mo1 C82 C83 13.5(7) . . . . ?
C84 Mo1 C82 C83 -38.3(5) . . . . ?
C83 Mo1 C82 C83 0.000(3) . . . . ?
C85 Mo1 C82 C83 -80.4(6) . . . . ?
C81 Mo1 C82 C83 -116.0(8) . . . . ?
P1 Mo1 C82 C83 -156.2(5) . . . . ?
Co1 Mo1 C82 C83 91.3(8) . . . . ?
C81 C82 C83 C84 0.0(10) . . . . ?
Mo1 C82 C83 C84 63.9(6) . . . . ?
C81 C82 C83 Mo1 -63.9(6) . . . . ?
Mo1 C82 C83 Mo1 0.000(1) . . . . ?
C5 Mo1 C83 C84 168.5(6) . . . . ?
C1 Mo1 C83 C84 13.7(10) . . . . ?
C4 Mo1 C83 C84 75.6(6) . . . . ?
C84 Mo1 C83 C84 0.000(4) . . . . ?
C85 Mo1 C83 C84 -37.0(5) . . . . ?
C81 Mo1 C83 C84 -77.8(6) . . . . ?
C82 Mo1 C83 C84 -114.6(8) . . . . ?
P1 Mo1 C83 C84 -75.8(7) . . . . ?
Co1 Mo1 C83 C84 103.4(6) . . . . ?
C5 Mo1 C83 C82 -76.9(6) . . . . ?
C1 Mo1 C83 C82 128.3(7) . . . . ?
C4 Mo1 C83 C82 -169.8(5) . . . . ?
C84 Mo1 C83 C82 114.6(8) . . . . ?
C85 Mo1 C83 C82 77.5(6) . . . . ?
C81 Mo1 C83 C82 36.7(5) . . . . ?
C82 Mo1 C83 C82 0.000(1) . . . . ?
P1 Mo1 C83 C82 38.8(7) . . . . ?
Co1 Mo1 C83 C82 -142.1(4) . . . . ?
C82 C83 C84 C85 -0.6(10) . . . . ?
Mo1 C83 C84 C85 65.4(6) . . . . ?
C82 C83 C84 Mo1 -66.0(6) . . . . ?
Mo1 C83 C84 Mo1 0.000(2) . . . . ?
C5 Mo1 C84 C83 -14.3(7) . . . . ?
C1 Mo1 C84 C83 -172.9(5) . . . . ?
C4 Mo1 C84 C83 -105.6(6) . . . . ?
C83 Mo1 C84 C83 0.000(5) . . . . ?
C85 Mo1 C84 C83 117.0(8) . . . . ?
C81 Mo1 C84 C83 78.9(6) . . . . ?
C82 Mo1 C84 C83 38.1(5) . . . . ?
P1 Mo1 C84 C83 135.6(5) . . . . ?
Co1 Mo1 C84 C83 -115.9(5) . . . . ?
C5 Mo1 C84 C85 -131.3(5) . . . . ?
C1 Mo1 C84 C85 70.1(6) . . . . ?
C4 Mo1 C84 C85 137.5(5) . . . . ?
C83 Mo1 C84 C85 -117.0(8) . . . . ?
C85 Mo1 C84 C85 0.000(1) . . . . ?
C81 Mo1 C84 C85 -38.1(5) . . . . ?
C82 Mo1 C84 C85 -78.8(6) . . . . ?
P1 Mo1 C84 C85 18.7(6) . . . . ?
Co1 Mo1 C84 C85 127.1(5) . . . . ?
C82 C81 C85 C84 -0.9(10) . . . . ?
Mo1 C81 C85 C84 -64.0(6) . . . . ?
C82 C81 C85 Mo1 63.1(6) . . . . ?
Mo1 C81 C85 Mo1 0.0 . . . . ?
C83 C84 C85 C81 0.9(10) . . . . ?
Mo1 C84 C85 C81 66.2(6) . . . . ?
C83 C84 C85 Mo1 -65.3(6) . . . . ?
Mo1 C84 C85 Mo1 0.0 . . . . ?
C5 Mo1 C85 C81 -31.5(8) . . . . ?
C1 Mo1 C85 C81 124.4(5) . . . . ?
C4 Mo1 C85 C81 -160.8(5) . . . . ?
C84 Mo1 C85 C81 -113.7(8) . . . . ?
C83 Mo1 C85 C81 -76.8(6) . . . . ?
C81 Mo1 C85 C81 0.000(1) . . . . ?
C82 Mo1 C85 C81 -35.4(5) . . . . ?
P1 Mo1 C85 C81 81.5(5) . . . . ?
Co1 Mo1 C85 C81 150.5(4) . . . . ?
C5 Mo1 C85 C84 82.2(7) . . . . ?
C1 Mo1 C85 C84 -121.8(5) . . . . ?
C4 Mo1 C85 C84 -47.1(6) . . . . ?
C84 Mo1 C85 C84 0.000(2) . . . . ?
C83 Mo1 C85 C84 36.9(5) . . . . ?
C81 Mo1 C85 C84 113.7(8) . . . . ?
C82 Mo1 C85 C84 78.3(6) . . . . ?
P1 Mo1 C85 C84 -164.8(5) . . . . ?
Co1 Mo1 C85 C84 -95.8(6) . . . . ?
C76 C71 C72 C73 3.4(12) . . . . ?
C2 C71 C72 C73 -174.4(8) . . . . ?
C71 C72 C73 C74 -4.0(14) . . . . ?
C72 C73 C74 C75 1.5(14) . . . . ?
C73 C74 C75 C76 1.6(14) . . . . ?
C74 C75 C76 C71 -2.1(13) . . . . ?
C72 C71 C76 C75 -0.4(12) . . . . ?
C2 C71 C76 C75 177.3(8) . . . . ?
C1 P1 C51 C52 -171.8(7) . . . . ?
C61 P1 C51 C52 56.4(8) . . . . ?
Mo1 P1 C51 C52 -109.2(7) . . . . ?
C1 P1 C51 C56 6.4(8) . . . . ?
C61 P1 C51 C56 -125.4(7) . . . . ?
Mo1 P1 C51 C56 69.0(7) . . . . ?
C56 C51 C52 C53 0.7(13) . . . . ?
P1 C51 C52 C53 178.9(7) . . . . ?
C51 C52 C53 C54 -0.8(14) . . . . ?
C52 C53 C54 C55 0.4(15) . . . . ?
C53 C54 C55 C56 0.2(14) . . . . ?
C52 C51 C56 C55 -0.1(13) . . . . ?
P1 C51 C56 C55 -178.4(7) . . . . ?
C54 C55 C56 C51 -0.3(14) . . . . ?
C1 P1 C61 C62 84.4(7) . . . . ?
C51 P1 C61 C62 -149.3(6) . . . . ?
Mo1 P1 C61 C62 14.1(8) . . . . ?
C1 P1 C61 C66 -96.9(7) . . . . ?
C51 P1 C61 C66 29.4(8) . . . . ?
Mo1 P1 C61 C66 -167.3(5) . . . . ?
C66 C61 C62 C63 -1.4(12) . . . . ?
P1 C61 C62 C63 177.3(7) . . . . ?
C61 C62 C63 C64 0.9(13) . . . . ?
C62 C63 C64 C65 0.1(14) . . . . ?
C63 C64 C65 C66 -0.5(13) . . . . ?
C62 C61 C66 C65 1.0(12) . . . . ?
P1 C61 C66 C65 -177.7(6) . . . . ?
C64 C65 C66 C61 0.0(13) . . . . ?
C61 P1 C1 C2 64.7(15) . . . . ?
C51 P1 C1 C2 -58.6(16) . . . . ?
Mo1 P1 C1 C2 -172.4(16) . . . . ?
C61 P1 C1 Co1 -45.9(6) . . . . ?
C51 P1 C1 Co1 -169.2(4) . . . . ?
Mo1 P1 C1 Co1 77.0(4) . . . . ?
C61 P1 C1 Mo1 -122.9(4) . . . . ?
C51 P1 C1 Mo1 113.8(3) . . . . ?
Mo1 P1 C1 Mo1 0.0 . . . . ?
C7 Co1 C1 C2 -90.1(5) . . . . ?
C6 Co1 C1 C2 149.0(10) . . . . ?
C4 Co1 C1 C2 76.7(5) . . . . ?
C3 Co1 C1 C2 35.8(5) . . . . ?
C2 Co1 C1 C2 0.0 . . . . ?
Mo1 Co1 C1 C2 130.9(6) . . . . ?
C7 Co1 C1 P1 64.4(6) . . . . ?
C6 Co1 C1 P1 -56.5(13) . . . . ?
C4 Co1 C1 P1 -128.8(6) . . . . ?
C3 Co1 C1 P1 -169.8(6) . . . . ?
C2 Co1 C1 P1 154.5(8) . . . . ?
Mo1 Co1 C1 P1 -74.6(4) . . . . ?
C7 Co1 C1 Mo1 139.0(3) . . . . ?
C6 Co1 C1 Mo1 18.1(12) . . . . ?
C4 Co1 C1 Mo1 -54.2(3) . . . . ?
C3 Co1 C1 Mo1 -95.2(4) . . . . ?
C2 Co1 C1 Mo1 -130.9(6) . . . . ?
Mo1 Co1 C1 Mo1 0.0 . . . . ?
C5 Mo1 C1 C2 -98.4(7) . . . . ?
C4 Mo1 C1 C2 -13.2(6) . . . . ?
C84 Mo1 C1 C2 63.2(8) . . . . ?
C83 Mo1 C1 C2 54.3(11) . . . . ?
C85 Mo1 C1 C2 97.2(7) . . . . ?
C81 Mo1 C1 C2 129.5(6) . . . . ?
C82 Mo1 C1 C2 137.3(7) . . . . ?
P1 Mo1 C1 C2 175.9(9) . . . . ?
Co1 Mo1 C1 C2 -63.0(6) . . . . ?
C5 Mo1 C1 P1 85.8(4) . . . . ?
C4 Mo1 C1 P1 170.9(4) . . . . ?
C84 Mo1 C1 P1 -112.7(4) . . . . ?
C83 Mo1 C1 P1 -121.6(6) . . . . ?
C85 Mo1 C1 P1 -78.7(3) . . . . ?
C81 Mo1 C1 P1 -46.4(4) . . . . ?
C82 Mo1 C1 P1 -38.6(8) . . . . ?
P1 Mo1 C1 P1 0.0 . . . . ?
Co1 Mo1 C1 P1 121.1(4) . . . . ?
C5 Mo1 C1 Co1 -35.3(4) . . . . ?
C4 Mo1 C1 Co1 49.8(3) . . . . ?
C84 Mo1 C1 Co1 126.2(3) . . . . ?
C83 Mo1 C1 Co1 117.3(6) . . . . ?
C85 Mo1 C1 Co1 160.2(3) . . . . ?
C81 Mo1 C1 Co1 -167.4(3) . . . . ?
C82 Mo1 C1 Co1 -159.7(6) . . . . ?
P1 Mo1 C1 Co1 -121.1(4) . . . . ?
Co1 Mo1 C1 Co1 0.0 . . . . ?
P1 C1 C2 C3 -179.1(12) . . . . ?
Co1 C1 C2 C3 -58.2(6) . . . . ?
Mo1 C1 C2 C3 10.2(10) . . . . ?
P1 C1 C2 C71 4.8(20) . . . . ?
Co1 C1 C2 C71 125.7(8) . . . . ?
Mo1 C1 C2 C71 -166.0(6) . . . . ?
P1 C1 C2 Co1 -120.9(15) . . . . ?
Co1 C1 C2 Co1 0.0 . . . . ?
Mo1 C1 C2 Co1 68.4(5) . . . . ?
C72 C71 C2 C3 -29.1(12) . . . . ?
C76 C71 C2 C3 153.2(8) . . . . ?
C72 C71 C2 C1 146.4(8) . . . . ?
C76 C71 C2 C1 -31.3(12) . . . . ?
C72 C71 C2 Co1 -124.6(8) . . . . ?
C76 C71 C2 Co1 57.7(10) . . . . ?
C7 Co1 C2 C3 -142.8(5) . . . . ?
C6 Co1 C2 C3 -30.8(11) . . . . ?
C1 Co1 C2 C3 120.9(7) . . . . ?
C4 Co1 C2 C3 30.6(5) . . . . ?
C3 Co1 C2 C3 0.000(2) . . . . ?
Mo1 Co1 C2 C3 85.9(4) . . . . ?
C7 Co1 C2 C1 96.2(5) . . . . ?
C6 Co1 C2 C1 -151.7(9) . . . . ?
C1 Co1 C2 C1 0.0 . . . . ?
C4 Co1 C2 C1 -90.3(5) . . . . ?
C3 Co1 C2 C1 -120.9(7) . . . . ?
Mo1 Co1 C2 C1 -35.0(4) . . . . ?
C7 Co1 C2 C71 -21.1(8) . . . . ?
C6 Co1 C2 C71 91.0(11) . . . . ?
C1 Co1 C2 C71 -117.3(9) . . . . ?
C4 Co1 C2 C71 152.4(8) . . . . ?
C3 Co1 C2 C71 121.8(9) . . . . ?
Mo1 Co1 C2 C71 -152.3(7) . . . . ?
C1 C2 C3 C4 3.4(11) . . . . ?
C71 C2 C3 C4 179.5(8) . . . . ?
Co1 C2 C3 C4 -52.6(7) . . . . ?
C1 C2 C3 Co1 56.0(5) . . . . ?
C71 C2 C3 Co1 -127.9(8) . . . . ?
Co1 C2 C3 Co1 0.0 . . . . ?
C7 Co1 C3 C2 48.4(6) . . . . ?
C6 Co1 C3 C2 166.1(5) . . . . ?
C1 Co1 C3 C2 -37.2(5) . . . . ?
C4 Co1 C3 C2 -130.9(7) . . . . ?
C2 Co1 C3 C2 0.000(1) . . . . ?
Mo1 Co1 C3 C2 -86.4(4) . . . . ?
C7 Co1 C3 C4 179.3(5) . . . . ?
C6 Co1 C3 C4 -62.9(6) . . . . ?
C1 Co1 C3 C4 93.7(5) . . . . ?
C4 Co1 C3 C4 0.000(3) . . . . ?
C2 Co1 C3 C4 130.9(7) . . . . ?
Mo1 Co1 C3 C4 44.6(4) . . . . ?
C2 C3 C4 C8 175.4(8) . . . . ?
Co1 C3 C4 C8 122.1(7) . . . . ?
C2 C3 C4 Co1 53.3(7) . . . . ?
Co1 C3 C4 Co1 0.000(1) . . . . ?
C2 C3 C4 Mo1 -13.3(10) . . . . ?
Co1 C3 C4 Mo1 -66.6(5) . . . . ?
C7 Co1 C4 C3 -2.4(17) . . . . ?
C6 Co1 C4 C3 128.3(5) . . . . ?
C1 Co1 C4 C3 -72.9(5) . . . . ?
C3 Co1 C4 C3 0.000(3) . . . . ?
C2 Co1 C4 C3 -30.4(4) . . . . ?
Mo1 Co1 C4 C3 -121.4(5) . . . . ?
C7 Co1 C4 C8 -109.6(16) . . . . ?
C6 Co1 C4 C8 21.1(8) . . . . ?
C1 Co1 C4 C8 179.9(8) . . . . ?
C3 Co1 C4 C8 -107.2(9) . . . . ?
C2 Co1 C4 C8 -137.6(8) . . . . ?
Mo1 Co1 C4 C8 131.4(8) . . . . ?
C7 Co1 C4 Mo1 119.0(15) . . . . ?
C6 Co1 C4 Mo1 -110.3(3) . . . . ?
C1 Co1 C4 Mo1 48.5(3) . . . . ?
C3 Co1 C4 Mo1 121.4(5) . . . . ?
C2 Co1 C4 Mo1 91.0(3) . . . . ?
Mo1 Co1 C4 Mo1 0.0 . . . . ?
C5 Mo1 C4 C3 126.1(7) . . . . ?
C1 Mo1 C4 C3 13.3(6) . . . . ?
C84 Mo1 C4 C3 -107.3(7) . . . . ?
C83 Mo1 C4 C3 -141.5(7) . . . . ?
C85 Mo1 C4 C3 -82.1(7) . . . . ?
C81 Mo1 C4 C3 -100.8(8) . . . . ?
C82 Mo1 C4 C3 -149.3(6) . . . . ?
P1 Mo1 C4 C3 20.3(7) . . . . ?
Co1 Mo1 C4 C3 62.8(6) . . . . ?
C5 Mo1 C4 C8 -64.3(8) . . . . ?
C1 Mo1 C4 C8 -177.0(9) . . . . ?
C84 Mo1 C4 C8 62.3(8) . . . . ?
C83 Mo1 C4 C8 28.1(8) . . . . ?
C85 Mo1 C4 C8 87.6(8) . . . . ?
C81 Mo1 C4 C8 68.8(10) . . . . ?
C82 Mo1 C4 C8 20.3(10) . . . . ?
P1 Mo1 C4 C8 -170.1(7) . . . . ?
Co1 Mo1 C4 C8 -127.6(9) . . . . ?
C5 Mo1 C4 Co1 63.2(3) . . . . ?
C1 Mo1 C4 Co1 -49.5(3) . . . . ?
C84 Mo1 C4 Co1 -170.1(3) . . . . ?
C83 Mo1 C4 Co1 155.7(3) . . . . ?
C85 Mo1 C4 Co1 -144.9(3) . . . . ?
C81 Mo1 C4 Co1 -163.6(4) . . . . ?
C82 Mo1 C4 Co1 147.9(3) . . . . ?
P1 Mo1 C4 Co1 -42.5(3) . . . . ?
Co1 Mo1 C4 Co1 0.0 . . . . ?
C3 C4 C8 C11 -155.7(8) . . . . ?
Co1 C4 C8 C11 -71.5(10) . . . . ?
Mo1 C4 C8 C11 34.7(12) . . . . ?
C3 C4 C8 C9 -33.2(12) . . . . ?
Co1 C4 C8 C9 51.0(11) . . . . ?
Mo1 C4 C8 C9 157.2(7) . . . . ?
C3 C4 C8 C10 84.9(10) . . . . ?
Co1 C4 C8 C10 169.1(7) . . . . ?
Mo1 C4 C8 C10 -84.8(9) . . . . ?
