#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:28:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179846 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/42/7014263.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_7014263
loop_
_publ_author_name
'Alvarez, Celedonio M.'
'Alvarez, M. Angeles'
'García-Vivó, Daniel'
'García, M Esther'
'Ruiz, Miguel A.'
'Saáez, David'
'Falvello, Larry R.'
'Soler, Tatiana'
'Herson, Patrick'
_publ_section_title
;
 Proton induced P-H and Mo-H bond activation at the phosphide bridged
 dimolybdenum complexes [Mo2Cp2(mu-H)(mu-PHR)(CO)4](R = Cy,
 2,4,6-C6H2R'3; R'= H, Me, tBu).
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4168
_journal_page_last               4179
_journal_paper_doi               10.1039/b412875c
_journal_year                    2004
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C20 H16 Cl1 Mo2 O4 P1'
_chemical_formula_sum            'C20 H16 Cl Mo2 O4 P'
_chemical_formula_weight         578.63
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2004-03-11T12:32:58-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                104.2950(10)
_cell_angle_beta                 102.8910(10)
_cell_angle_gamma                106.6910(10)
_cell_formula_units_Z            2
_cell_length_a                   8.63500(10)
_cell_length_b                   9.89690(10)
_cell_length_c                   13.70360(10)
_cell_measurement_reflns_used    5234
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      70.5
_cell_measurement_theta_min      3.509
_cell_measurement_wavelength     1.54183
_cell_volume                     1031.06(2)
_computing_cell_refinement       'BRUKER SMART v. 5.625'
_computing_data_collection       'BRUKER SMART v. 5.625'
_computing_data_reduction        'BRUKER SAINT v. 6.0'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF (1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.861
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device_type  'Smart-CCD-1000 BRUKER'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54183
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_av_unetI/netI     0.056
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6603
_diffrn_reflns_theta_full        70.55
_diffrn_reflns_theta_max         70.55
_diffrn_reflns_theta_min         3.509
_exptl_absorpt_coefficient_mu    12.093
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS v. 2.03'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.864
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.542
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       0.0034(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         3407
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0385P)²+0.2486P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.0836
_reflns_number_gt                3240
_reflns_number_total             3407
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b412875c.txt
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Empirical' changed to 'empirical'
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 
;
_cod_original_cell_volume        1031.057(18)
_cod_database_code               7014263
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.65814(3) 0.52494(3) 0.778287(18) 0.03012(13) Uani 1 1 d . . .
Mo2 Mo 0.85624(3) 0.31346(3) 0.691959(19) 0.03416(13) Uani 1 1 d . . .
P1 P 0.95958(9) 0.56135(9) 0.81523(6) 0.03027(19) Uani 1 1 d . . .
Cl1 Cl 0.68056(13) 0.40203(11) 0.91961(7) 0.0531(2) Uani 1 1 d . . .
O4 O 1.1114(4) 0.4418(4) 0.5824(3) 0.0761(9) Uani 1 1 d . . .
O2 O 0.6797(3) 0.5668(4) 0.5619(2) 0.0581(7) Uani 1 1 d . . .
O3 O 0.6031(4) 0.2302(4) 0.4663(2) 0.0816(10) Uani 1 1 d . . .
O1 O 0.3617(4) 0.2203(4) 0.6326(3) 0.0751(9) Uani 1 1 d . . .
C31 C 1.0983(4) 0.7323(3) 0.8062(3) 0.0357(7) Uani 1 1 d . . .
C3 C 0.6932(5) 0.2654(4) 0.5513(3) 0.0537(9) Uani 1 1 d . . .
C1 C 0.4749(5) 0.3261(4) 0.6854(3) 0.0467(8) Uani 1 1 d . . .
C36 C 1.0894(5) 0.7570(4) 0.7097(3) 0.0454(8) Uani 1 1 d . . .
C32 C 1.2152(5) 0.8423(4) 0.8993(3) 0.0519(9) Uani 1 1 d . . .
C22 C 0.7404(6) 0.7652(5) 0.8990(4) 0.0592(11) Uani 1 1 d . . .
C34 C 1.3089(5) 0.9988(5) 0.7991(5) 0.0685(13) Uani 1 1 d . . .
C14 C 0.7681(10) 0.0600(5) 0.6722(6) 0.100(2) Uani 1 1 d . . .
C11 C 0.9391(7) 0.2250(6) 0.8305(4) 0.0638(12) Uani 1 1 d . . .
C25 C 0.5056(7) 0.6722(6) 0.7512(4) 0.0643(12) Uani 1 1 d . . .
C21 C 0.6815(6) 0.7647(5) 0.7940(4) 0.0618(11) Uani 1 1 d . . .
C13 C 0.9343(10) 0.1088(7) 0.6672(5) 0.0862(18) Uani 1 1 d . . .
C2 C 0.6778(4) 0.5440(4) 0.6388(3) 0.0406(7) Uani 1 1 d . . .
C15 C 0.7730(7) 0.1316(6) 0.7741(6) 0.0812(18) Uani 1 1 d . . .
C4 C 1.0133(5) 0.3993(4) 0.6235(3) 0.0469(8) Uani 1 1 d . . .
C33 C 1.3186(6) 0.9750(5) 0.8937(5) 0.0674(14) Uani 1 1 d . . .
C35 C 1.1957(6) 0.8910(5) 0.7078(5) 0.0628(12) Uani 1 1 d . . .
C24 C 0.4589(6) 0.6174(5) 0.8301(4) 0.0601(11) Uani 1 1 d . . .
C12 C 1.0374(8) 0.2075(7) 0.7641(5) 0.0700(14) Uani 1 1 d . . .
C23 C 0.6000(6) 0.6763(5) 0.9190(4) 0.0597(11) Uani 1 1 d . . .
H2 H 1.027(5) 0.576(4) 0.908(3) 0.046(10) Uiso 1 1 d . . .
H32 H 1.229(6) 0.823(5) 0.969(4) 0.068(13) Uiso 1 1 d . . .
H34 H 1.386(7) 1.098(7) 0.800(4) 0.090(17) Uiso 1 1 d . . .
H36 H 1.011(5) 0.689(4) 0.652(3) 0.039(10) Uiso 1 1 d . . .
H33 H 1.378(7) 1.030(6) 0.946(4) 0.063(15) Uiso 1 1 d . . .
H15 H 0.691(7) 0.126(6) 0.799(4) 0.074(16) Uiso 1 1 d . . .
H11 H 0.966(6) 0.282(5) 0.892(4) 0.053(12) Uiso 1 1 d . . .
H14 H 0.695(11) -0.010(10) 0.622(6) 0.14(3) Uiso 1 1 d . . .
H35 H 1.185(6) 0.908(6) 0.648(4) 0.068(15) Uiso 1 1 d . . .
H23 H 0.624(10) 0.664(9) 0.984(6) 0.13(3) Uiso 1 1 d . . .
H22 H 0.842(8) 0.816(7) 0.948(4) 0.085(18) Uiso 1 1 d . . .
H12 H 1.139(8) 0.242(6) 0.781(4) 0.079(18) Uiso 1 1 d . . .
H21 H 0.759(6) 0.823(6) 0.759(4) 0.076(14) Uiso 1 1 d . . .
H25 H 0.431(6) 0.658(5) 0.693(3) 0.052(12) Uiso 1 1 d . . .
H24 H 0.345(7) 0.542(6) 0.816(4) 0.081(15) Uiso 1 1 d . . .
H13 H 0.958(8) 0.070(7) 0.605(5) 0.092(18) 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Mo1 C1 83.21(14) . . ?
C2 Mo1 C25 78.35(16) . . ?
C1 Mo1 C25 97.8(2) . . ?
C2 Mo1 C21 75.65(16) . . ?
C1 Mo1 C21 132.28(17) . . ?
C25 Mo1 C21 36.54(19) . . ?
C2 Mo1 C24 112.54(16) . . ?
C1 Mo1 C24 91.75(17) . . ?
C25 Mo1 C24 35.65(17) . . ?
C21 Mo1 C24 59.59(16) . . ?
C2 Mo1 C22 108.20(16) . . ?
C1 Mo1 C22 150.17(16) . . ?
C25 Mo1 C22 59.6(2) . . ?
C21 Mo1 C22 35.68(17) . . ?
C24 Mo1 C22 58.45(17) . . ?
C2 Mo1 C23 132.24(15) . . ?
C1 Mo1 C23 118.17(17) . . ?
C25 Mo1 C23 57.83(17) . . ?
C21 Mo1 C23 58.16(16) . . ?
C24 Mo1 C23 33.92(17) . . ?
C22 Mo1 C23 34.66(16) . . ?
C2 Mo1 P1 82.70(10) . . ?
C1 Mo1 P1 121.36(11) . . ?
C25 Mo1 P1 133.81(15) . . ?
C21 Mo1 P1 97.98(13) . . ?
C24 Mo1 P1 145.65(13) . . ?
C22 Mo1 P1 87.92(12) . . ?
C23 Mo1 P1 113.16(13) . . ?
C2 Mo1 Cl1 152.61(11) . . ?
C1 Mo1 Cl1 84.64(11) . . ?
C25 Mo1 Cl1 127.72(13) . . ?
C21 Mo1 Cl1 129.48(13) . . ?
C24 Mo1 Cl1 92.27(12) . . ?
C22 Mo1 Cl1 94.39(13) . . ?
C23 Mo1 Cl1 75.02(11) . . ?
P1 Mo1 Cl1 82.84(3) . . ?
C4 Mo2 C3 80.84(16) . . ?
C4 Mo2 C13 90.2(2) . . ?
C3 Mo2 C13 101.3(2) . . ?
C4 Mo2 C12 91.17(18) . . ?
C3 Mo2 C12 135.3(2) . . ?
C13 Mo2 C12 34.4(2) . . ?
C4 Mo2 C14 121.4(3) . . ?
C3 Mo2 C14 89.6(2) . . ?
C13 Mo2 C14 35.3(3) . . ?
C12 Mo2 C14 57.5(2) . . ?
C4 Mo2 C11 122.27(17) . . ?
C3 Mo2 C11 145.64(19) . . ?
C13 Mo2 C11 57.8(2) . . ?
C12 Mo2 C11 34.87(18) . . ?
C14 Mo2 C11 57.2(2) . . ?
C4 Mo2 C15 146.39(17) . . ?
C3 Mo2 C15 112.7(2) . . ?
C13 Mo2 C15 57.7(2) . . ?
C12 Mo2 C15 57.1(2) . . ?
C14 Mo2 C15 34.2(2) . . ?
C11 Mo2 C15 34.0(2) . . ?
C4 Mo2 P1 84.71(11) . . ?
C3 Mo2 P1 119.13(12) . . ?
C13 Mo2 P1 137.7(2) . . ?
C12 Mo2 P1 103.59(17) . . ?
C14 Mo2 P1 145.2(2) . . ?
C11 Mo2 P1 90.14(13) . . ?
C15 Mo2 P1 111.47(18) . . ?
C31 P1 Mo2 128.01(11) . . ?
C31 P1 Mo1 116.94(10) . . ?
Mo2 P1 Mo1 84.11(2) . . ?
C31 P1 H2 100.2(19) . . ?
Mo2 P1 H2 115.6(18) . . ?
Mo1 P1 H2 111.9(18) . . ?
C32 C31 C36 119.2(3) . . ?
C32 C31 P1 118.7(3) . . ?
C36 C31 P1 122.1(3) . . ?
O3 C3 Mo2 175.2(4) . . ?
O1 C1 Mo1 174.0(4) . . ?
C35 C36 C31 119.7(4) . . ?
C35 C36 H36 122(2) . . ?
C31 C36 H36 118(2) . . ?
C33 C32 C31 119.2(4) . . ?
C33 C32 H32 121(3) . . ?
C31 C32 H32 120(3) . . ?
C23 C22 C21 106.8(5) . . ?
C23 C22 Mo1 74.3(3) . . ?
C21 C22 Mo1 69.8(2) . . ?
C23 C22 H22 124(4) . . ?
C21 C22 H22 129(4) . . ?
Mo1 C22 H22 125(4) . . ?
C33 C34 C35 119.7(4) . . ?
C33 C34 H34 118(3) . . ?
C35 C34 H34 122(3) . . ?
C15 C14 C13 107.8(6) . . ?
C15 C14 Mo2 74.7(3) . . ?
C13 C14 Mo2 70.7(3) . . ?
C15 C14 H14 133(6) . . ?
C13 C14 H14 118(6) . . ?
Mo2 C14 H14 128(6) . . ?
C15 C11 C12 107.7(5) . . ?
C15 C11 Mo2 74.5(3) . . ?
C12 C11 Mo2 71.1(3) . . ?
C15 C11 H11 122(3) . . ?
C12 C11 H11 130(3) . . ?
Mo2 C11 H11 118(3) . . ?
C24 C25 C21 107.7(5) . . ?
C24 C25 Mo1 74.6(2) . . ?
C21 C25 Mo1 71.9(2) . . ?
C24 C25 H25 122(3) . . ?
C21 C25 H25 130(3) . . ?
Mo1 C25 H25 126(3) . . ?
C22 C21 C25 107.5(4) . . ?
C22 C21 Mo1 74.6(2) . . ?
C25 C21 Mo1 71.5(2) . . ?
C22 C21 H21 123(3) . . ?
C25 C21 H21 129(3) . . ?
Mo1 C21 H21 119(3) . . ?
C12 C13 C14 107.7(6) . . ?
C12 C13 Mo2 73.4(3) . . ?
C14 C13 Mo2 74.0(3) . . ?
C12 C13 H13 132(4) . . ?
C14 C13 H13 120(4) . . ?
Mo2 C13 H13 120(4) . . ?
O2 C2 Mo1 171.8(3) . . ?
C11 C15 C14 107.8(6) . . ?
C11 C15 Mo2 71.4(3) . . ?
C14 C15 Mo2 71.0(3) . . ?
C11 C15 H15 124(4) . . ?
C14 C15 H15 128(4) . . ?
Mo2 C15 H15 120(4) . . ?
O4 C4 Mo2 174.9(4) . . ?
C34 C33 C32 121.4(5) . . ?
C34 C33 H33 124(4) . . ?
C32 C33 H33 114(4) . . ?
C34 C35 C36 120.9(5) . . ?
C34 C35 H35 120(4) . . ?
C36 C35 H35 119(4) . . ?
C23 C24 C25 107.8(4) . . ?
C23 C24 Mo1 74.9(2) . . ?
C25 C24 Mo1 69.8(2) . . ?
C23 C24 H24 130(3) . . ?
C25 C24 H24 122(3) . . ?
Mo1 C24 H24 116(3) . . ?
C13 C12 C11 108.9(6) . . ?
C13 C12 Mo2 72.2(3) . . ?
C11 C12 Mo2 74.0(3) . . ?
C13 C12 H12 125(4) . . ?
C11 C12 H12 126(4) . . ?
Mo2 C12 H12 125(4) . . ?
C24 C23 C22 110.2(4) . . ?
C24 C23 Mo1 71.2(2) . . ?
C22 C23 Mo1 71.1(2) . . ?
C24 C23 H23 135(5) . . ?
C22 C23 H23 115(5) . . ?
Mo1 C23 H23 119(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 C2 2.006(3) . ?
Mo1 C1 2.018(4) . ?
Mo1 C25 2.269(4) . ?
Mo1 C21 2.274(4) . ?
Mo1 C24 2.331(4) . ?
Mo1 C22 2.336(4) . ?
Mo1 C23 2.378(4) . ?
Mo1 P1 2.4381(8) . ?
Mo1 Cl1 2.5296(8) . ?
Mo2 C4 1.934(4) . ?
Mo2 C3 1.969(4) . ?
Mo2 C13 2.285(5) . ?
Mo2 C12 2.300(5) . ?
Mo2 C14 2.328(4) . ?
Mo2 C11 2.336(4) . ?
Mo2 C15 2.375(5) . ?
Mo2 P1 2.3857(8) . ?
P1 C31 1.822(3) . ?
P1 H2 1.22(4) . ?
O4 C4 1.156(5) . ?
O2 C2 1.134(4) . ?
O3 C3 1.150(5) . ?
O1 C1 1.140(5) . ?
C31 C32 1.392(5) . ?
C31 C36 1.393(5) . ?
C36 C35 1.389(5) . ?
C36 H36 0.88(4) . ?
C32 C33 1.391(6) . ?
C32 H32 1.01(5) . ?
C22 C23 1.405(7) . ?
C22 C21 1.414(7) . ?
C22 H22 0.89(6) . ?
C34 C33 1.362(8) . ?
C34 C35 1.362(8) . ?
C34 H34 1.01(6) . ?
C14 C15 1.385(10) . ?
C14 C13 1.400(10) . ?
C14 H14 0.82(9) . ?
C11 C15 1.379(8) . ?
C11 C12 1.390(7) . ?
C11 H11 0.82(5) . ?
C25 C24 1.409(7) . ?
C25 C21 1.424(8) . ?
C25 H25 0.86(4) . ?
C21 H21 1.04(5) . ?
C13 C12 1.357(9) . ?
C13 H13 0.94(6) . ?
C15 H15 0.84(6) . ?
C33 H33 0.74(5) . ?
C35 H35 0.87(5) . ?
C24 C23 1.374(7) . ?
C24 H24 0.99(6) . ?
C12 H12 0.80(6) . ?
C23 H23 0.91(7) . ?
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
C4 Mo2 P1 C31 8.72(17) . . . . ?
C3 Mo2 P1 C31 -67.71(19) . . . . ?
C13 Mo2 P1 C31 93.2(3) . . . . ?
C12 Mo2 P1 C31 98.64(19) . . . . ?
C14 Mo2 P1 C31 150.3(4) . . . . ?
C11 Mo2 P1 C31 131.13(19) . . . . ?
C15 Mo2 P1 C31 158.3(2) . . . . ?
C4 Mo2 P1 Mo1 128.56(11) . . . . ?
C3 Mo2 P1 Mo1 52.13(14) . . . . ?
C13 Mo2 P1 Mo1 -147.0(3) . . . . ?
C12 Mo2 P1 Mo1 -141.52(14) . . . . ?
C14 Mo2 P1 Mo1 -89.8(4) . . . . ?
C11 Mo2 P1 Mo1 -109.03(13) . . . . ?
C15 Mo2 P1 Mo1 -81.86(15) . . . . ?
C2 Mo1 P1 C31 57.82(16) . . . . ?
C1 Mo1 P1 C31 135.26(17) . . . . ?
C25 Mo1 P1 C31 -8.3(2) . . . . ?
C21 Mo1 P1 C31 -16.50(17) . . . . ?
C24 Mo1 P1 C31 -62.0(2) . . . . ?
C22 Mo1 P1 C31 -50.82(18) . . . . ?
C23 Mo1 P1 C31 -75.21(17) . . . . ?
Cl1 Mo1 P1 C31 -145.51(12) . . . . ?
C2 Mo1 P1 Mo2 -72.12(11) . . . . ?
C1 Mo1 P1 Mo2 5.31(12) . . . . ?
C25 Mo1 P1 Mo2 -138.24(19) . . . . ?
C21 Mo1 P1 Mo2 -146.44(13) . . . . ?
C24 Mo1 P1 Mo2 168.1(2) . . . . ?
C22 Mo1 P1 Mo2 179.23(12) . . . . ?
C23 Mo1 P1 Mo2 154.85(12) . . . . ?
Cl1 Mo1 P1 Mo2 84.55(3) . . . . ?
Mo2 P1 C31 C32 -145.5(2) . . . . ?
Mo1 P1 C31 C32 109.9(3) . . . . ?
Mo2 P1 C31 C36 35.4(3) . . . . ?
Mo1 P1 C31 C36 -69.2(3) . . . . ?
C4 Mo2 C3 O3 69(4) . . . . ?
C13 Mo2 C3 O3 -19(5) . . . . ?
C12 Mo2 C3 O3 -13(5) . . . . ?
C14 Mo2 C3 O3 -53(4) . . . . ?
C11 Mo2 C3 O3 -67(5) . . . . ?
C15 Mo2 C3 O3 -79(4) . . . . ?
P1 Mo2 C3 O3 148(4) . . . . ?
C2 Mo1 C1 O1 -89(3) . . . . ?
C25 Mo1 C1 O1 -11(3) . . . . ?
C21 Mo1 C1 O1 -25(3) . . . . ?
C24 Mo1 C1 O1 24(3) . . . . ?
C22 Mo1 C1 O1 26(3) . . . . ?
C23 Mo1 C1 O1 46(3) . . . . ?
P1 Mo1 C1 O1 -166(3) . . . . ?
Cl1 Mo1 C1 O1 116(3) . . . . ?
C32 C31 C36 C35 -0.6(5) . . . . ?
P1 C31 C36 C35 178.5(3) . . . . ?
C36 C31 C32 C33 0.9(5) . . . . ?
P1 C31 C32 C33 -178.3(3) . . . . ?
C2 Mo1 C22 C23 140.2(3) . . . . ?
C1 Mo1 C22 C23 31.4(5) . . . . ?
C25 Mo1 C22 C23 76.3(3) . . . . ?
C21 Mo1 C22 C23 115.1(4) . . . . ?
C24 Mo1 C22 C23 34.5(3) . . . . ?
P1 Mo1 C22 C23 -138.1(3) . . . . ?
Cl1 Mo1 C22 C23 -55.5(3) . . . . ?
C2 Mo1 C22 C21 25.2(3) . . . . ?
C1 Mo1 C22 C21 -83.7(4) . . . . ?
C25 Mo1 C22 C21 -38.8(3) . . . . ?
C24 Mo1 C22 C21 -80.6(3) . . . . ?
C23 Mo1 C22 C21 -115.1(4) . . . . ?
P1 Mo1 C22 C21 106.8(3) . . . . ?
Cl1 Mo1 C22 C21 -170.6(3) . . . . ?
C4 Mo2 C14 C15 146.8(4) . . . . ?
C3 Mo2 C14 C15 -134.2(4) . . . . ?
C13 Mo2 C14 C15 115.5(6) . . . . ?
C12 Mo2 C14 C15 78.0(4) . . . . ?
C11 Mo2 C14 C15 36.3(3) . . . . ?
P1 Mo2 C14 C15 13.3(7) . . . . ?
C4 Mo2 C14 C13 31.3(5) . . . . ?
C3 Mo2 C14 C13 110.3(4) . . . . ?
C12 Mo2 C14 C13 -37.6(4) . . . . ?
C11 Mo2 C14 C13 -79.2(4) . . . . ?
C15 Mo2 C14 C13 -115.5(6) . . . . ?
P1 Mo2 C14 C13 -102.2(5) . . . . ?
C4 Mo2 C11 C15 -145.6(3) . . . . ?
C3 Mo2 C11 C15 -19.4(5) . . . . ?
C13 Mo2 C11 C15 -78.7(4) . . . . ?
C12 Mo2 C11 C15 -115.4(5) . . . . ?
C14 Mo2 C11 C15 -36.5(4) . . . . ?
P1 Mo2 C11 C15 130.6(3) . . . . ?
C4 Mo2 C11 C12 -30.2(4) . . . . ?
C3 Mo2 C11 C12 95.9(4) . . . . ?
C13 Mo2 C11 C12 36.7(4) . . . . ?
C14 Mo2 C11 C12 78.9(4) . . . . ?
C15 Mo2 C11 C12 115.4(5) . . . . ?
P1 Mo2 C11 C12 -114.0(4) . . . . ?
C2 Mo1 C25 C24 163.5(3) . . . . ?
C1 Mo1 C25 C24 82.1(3) . . . . ?
C21 Mo1 C25 C24 -115.0(5) . . . . ?
C22 Mo1 C25 C24 -77.1(3) . . . . ?
C23 Mo1 C25 C24 -36.4(3) . . . . ?
P1 Mo1 C25 C24 -128.7(3) . . . . ?
Cl1 Mo1 C25 C24 -7.1(4) . . . . ?
C2 Mo1 C25 C21 -81.6(3) . . . . ?
C1 Mo1 C25 C21 -162.9(3) . . . . ?
C24 Mo1 C25 C21 115.0(5) . . . . ?
C22 Mo1 C25 C21 37.8(3) . . . . ?
C23 Mo1 C25 C21 78.6(3) . . . . ?
P1 Mo1 C25 C21 -13.7(4) . . . . ?
Cl1 Mo1 C25 C21 107.8(3) . . . . ?
C23 C22 C21 C25 -1.2(5) . . . . ?
Mo1 C22 C21 C25 64.4(3) . . . . ?
C23 C22 C21 Mo1 -65.6(3) . . . . ?
C24 C25 C21 C22 0.1(5) . . . . ?
Mo1 C25 C21 C22 -66.5(3) . . . . ?
C24 C25 C21 Mo1 66.5(3) . . . . ?
C2 Mo1 C21 C22 -155.4(3) . . . . ?
C1 Mo1 C21 C22 138.1(3) . . . . ?
C25 Mo1 C21 C22 114.9(4) . . . . ?
C24 Mo1 C21 C22 77.1(3) . . . . ?
C23 Mo1 C21 C22 37.3(3) . . . . ?
P1 Mo1 C21 C22 -75.0(3) . . . . ?
Cl1 Mo1 C21 C22 12.2(3) . . . . ?
C2 Mo1 C21 C25 89.7(3) . . . . ?
C1 Mo1 C21 C25 23.1(4) . . . . ?
C24 Mo1 C21 C25 -37.8(3) . . . . ?
C22 Mo1 C21 C25 -114.9(4) . . . . ?
C23 Mo1 C21 C25 -77.6(3) . . . . ?
P1 Mo1 C21 C25 170.0(3) . . . . ?
Cl1 Mo1 C21 C25 -102.7(3) . . . . ?
C15 C14 C13 C12 0.1(6) . . . . ?
Mo2 C14 C13 C12 66.2(4) . . . . ?
C15 C14 C13 Mo2 -66.1(4) . . . . ?
C4 Mo2 C13 C12 91.7(4) . . . . ?
C3 Mo2 C13 C12 172.4(4) . . . . ?
C14 Mo2 C13 C12 -114.6(6) . . . . ?
C11 Mo2 C13 C12 -37.2(3) . . . . ?
C15 Mo2 C13 C12 -77.7(4) . . . . ?
P1 Mo2 C13 C12 9.4(5) . . . . ?
C4 Mo2 C13 C14 -153.7(4) . . . . ?
C3 Mo2 C13 C14 -73.0(4) . . . . ?
C12 Mo2 C13 C14 114.6(6) . . . . ?
C11 Mo2 C13 C14 77.4(4) . . . . ?
C15 Mo2 C13 C14 36.9(4) . . . . ?
P1 Mo2 C13 C14 123.9(4) . . . . ?
C1 Mo1 C2 O2 107(2) . . . . ?
C25 Mo1 C2 O2 7(2) . . . . ?
C21 Mo1 C2 O2 -30(2) . . . . ?
C24 Mo1 C2 O2 18(2) . . . . ?
C22 Mo1 C2 O2 -45(2) . . . . ?
C23 Mo1 C2 O2 -15(2) . . . . ?
P1 Mo1 C2 O2 -130(2) . . . . ?
Cl1 Mo1 C2 O2 171(2) . . . . ?
C12 C11 C15 C14 -1.8(5) . . . . ?
Mo2 C11 C15 C14 62.1(4) . . . . ?
C12 C11 C15 Mo2 -63.9(3) . . . . ?
C13 C14 C15 C11 1.0(6) . . . . ?
Mo2 C14 C15 C11 -62.3(3) . . . . ?
C13 C14 C15 Mo2 63.4(3) . . . . ?
C4 Mo2 C15 C11 59.7(5) . . . . ?
C3 Mo2 C15 C11 168.3(3) . . . . ?
C13 Mo2 C15 C11 79.1(4) . . . . ?
C12 Mo2 C15 C11 38.0(3) . . . . ?
C14 Mo2 C15 C11 117.2(5) . . . . ?
P1 Mo2 C15 C11 -54.7(3) . . . . ?
C4 Mo2 C15 C14 -57.5(6) . . . . ?
C3 Mo2 C15 C14 51.1(5) . . . . ?
C13 Mo2 C15 C14 -38.1(4) . . . . ?
C12 Mo2 C15 C14 -79.2(4) . . . . ?
C11 Mo2 C15 C14 -117.2(5) . . . . ?
P1 Mo2 C15 C14 -171.9(4) . . . . ?
C3 Mo2 C4 O4 -107(4) . . . . ?
C13 Mo2 C4 O4 -6(4) . . . . ?
C12 Mo2 C4 O4 28(4) . . . . ?
C14 Mo2 C4 O4 -23(4) . . . . ?
C11 Mo2 C4 O4 45(4) . . . . ?
C15 Mo2 C4 O4 10(4) . . . . ?
P1 Mo2 C4 O4 132(4) . . . . ?
C35 C34 C33 C32 0.1(7) . . . . ?
C31 C32 C33 C34 -0.7(6) . . . . ?
C33 C34 C35 C36 0.2(7) . . . . ?
C31 C36 C35 C34 0.1(6) . . . . ?
C21 C25 C24 C23 1.1(5) . . . . ?
Mo1 C25 C24 C23 65.8(3) . . . . ?
C21 C25 C24 Mo1 -64.8(3) . . . . ?
C2 Mo1 C24 C23 -133.4(3) . . . . ?
C1 Mo1 C24 C23 143.2(3) . . . . ?
C25 Mo1 C24 C23 -115.8(4) . . . . ?
C21 Mo1 C24 C23 -77.1(3) . . . . ?
C22 Mo1 C24 C23 -35.2(3) . . . . ?
P1 Mo1 C24 C23 -22.1(4) . . . . ?
Cl1 Mo1 C24 C23 58.5(3) . . . . ?
C2 Mo1 C24 C25 -17.6(4) . . . . ?
C1 Mo1 C24 C25 -100.9(3) . . . . ?
C21 Mo1 C24 C25 38.7(3) . . . . ?
C22 Mo1 C24 C25 80.6(3) . . . . ?
C23 Mo1 C24 C25 115.8(4) . . . . ?
P1 Mo1 C24 C25 93.7(4) . . . . ?
Cl1 Mo1 C24 C25 174.4(3) . . . . ?
C14 C13 C12 C11 -1.2(6) . . . . ?
Mo2 C13 C12 C11 65.4(3) . . . . ?
C14 C13 C12 Mo2 -66.6(4) . . . . ?
C15 C11 C12 C13 1.9(5) . . . . ?
Mo2 C11 C12 C13 -64.2(3) . . . . ?
C15 C11 C12 Mo2 66.1(3) . . . . ?
C4 Mo2 C12 C13 -88.7(4) . . . . ?
C3 Mo2 C12 C13 -10.6(5) . . . . ?
C14 Mo2 C12 C13 38.6(4) . . . . ?
C11 Mo2 C12 C13 116.5(5) . . . . ?
C15 Mo2 C12 C13 79.5(4) . . . . ?
P1 Mo2 C12 C13 -173.5(4) . . . . ?
C4 Mo2 C12 C11 154.8(4) . . . . ?
C3 Mo2 C12 C11 -127.1(3) . . . . ?
C13 Mo2 C12 C11 -116.5(5) . . . . ?
C14 Mo2 C12 C11 -77.9(4) . . . . ?
C15 Mo2 C12 C11 -37.0(4) . . . . ?
P1 Mo2 C12 C11 70.0(4) . . . . ?
C25 C24 C23 C22 -1.9(5) . . . . ?
Mo1 C24 C23 C22 60.6(3) . . . . ?
C25 C24 C23 Mo1 -62.5(3) . . . . ?
C21 C22 C23 C24 1.9(5) . . . . ?
Mo1 C22 C23 C24 -60.7(3) . . . . ?
C21 C22 C23 Mo1 62.6(3) . . . . ?
C2 Mo1 C23 C24 65.0(3) . . . . ?
C1 Mo1 C23 C24 -42.8(3) . . . . ?
C25 Mo1 C23 C24 38.3(3) . . . . ?
C21 Mo1 C23 C24 81.7(3) . . . . ?
C22 Mo1 C23 C24 120.1(4) . . . . ?
P1 Mo1 C23 C24 166.6(2) . . . . ?
Cl1 Mo1 C23 C24 -118.1(3) . . . . ?
C2 Mo1 C23 C22 -55.1(4) . . . . ?
C1 Mo1 C23 C22 -162.9(3) . . . . ?
C25 Mo1 C23 C22 -81.8(3) . . . . ?
C21 Mo1 C23 C22 -38.4(3) . . . . ?
C24 Mo1 C23 C22 -120.1(4) . . . . ?
P1 Mo1 C23 C22 46.5(3) . . . . ?
Cl1 Mo1 C23 C22 121.7(3) . . . . ?
