#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:12:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180128 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/26/7102659.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_7102659
loop_
_publ_author_name
'Avarvari, Narcis'
'Fourmigué, Marc'
_publ_section_title
;
 First cation radical salt of a tetrathiafulvalene-based phosphine
 metal complex.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1300
_journal_page_last               1301
_journal_paper_doi               10.1039/b403168g
_journal_year                    2004
_chemical_formula_moiety         '(C36 H26 Mo O4 P2 S4)2, Mo6 O19'
_chemical_formula_sum            'C72 H52 Mo8 O27 P4 S8'
_chemical_formula_weight         2497.02
_chemical_name_common            '(o-Me2-TTF(PPh2)2(Mo(CO)4)2 Mo6O19'
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.68(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   21.602(4)
_cell_length_b                   11.893(2)
_cell_length_c                   17.225(3)
_cell_measurement_reflns_used    7998
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      52.1
_cell_measurement_theta_min      3.3
_cell_volume                     4423.4(15)
_computing_cell_refinement       'SELECT, CELL [STOE-IPDS]'
_computing_data_collection       'EXPOSE [STOE-IPDS]'
_computing_data_reduction        'INTEGRATE [STOE-IPDS]'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.66
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  STOE-IPDS
_diffrn_measurement_method       'Rotation, Phi. incr. = 1.1'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            36239
_diffrn_reflns_theta_full        25.86
_diffrn_reflns_theta_max         25.86
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    1.430
_exptl_absorpt_correction_T_max  0.8683
_exptl_absorpt_correction_T_min  0.3813
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'FACEIT, Stoe-IPDS'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       plate
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.54
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.879
_refine_diff_density_min         -0.652
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     538
_refine_ls_number_reflns         8433
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0436P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                6088
_reflns_number_total             8433
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b403168g.txt
_cod_data_source_block           nas1merge
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7102659
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.117168(17) 0.51556(3) 0.63392(2) 0.04457(10) Uani 1 1 d .
S1 S 0.31953(4) 0.31899(8) 0.71751(6) 0.0361(2) Uani 1 1 d .
S2 S 0.31772(4) 0.52797(8) 0.80557(6) 0.0355(2) Uani 1 1 d .
S3 S 0.46475(4) 0.29256(7) 0.75507(6) 0.0332(2) Uani 1 1 d .
S4 S 0.46225(5) 0.48254(8) 0.85846(6) 0.0401(2) Uani 1 1 d .
P1 P 0.18646(5) 0.35290(8) 0.64914(6) 0.0334(2) Uani 1 1 d .
P2 P 0.18201(5) 0.58595(8) 0.74506(6) 0.0344(2) Uani 1 1 d .
O1 O 0.1927(3) 0.6357(4) 0.5027(3) 0.141(3) Uani 1 1 d .
O2 O 0.0439(3) 0.3912(5) 0.5003(4) 0.174(3) Uani 1 1 d .
O3 O 0.0340(2) 0.7330(4) 0.6324(3) 0.1048(15) Uani 1 1 d .
O4 O 0.0276(2) 0.3963(4) 0.7507(4) 0.121(2) Uani 1 1 d .
C1 C 0.25172(16) 0.3969(3) 0.7125(2) 0.0291(8) Uani 1 1 d .
C2 C 0.25030(16) 0.4935(3) 0.7526(2) 0.0298(8) Uani 1 1 d .
C3 C 0.35985(17) 0.4119(3) 0.7761(2) 0.0313(8) Uani 1 1 d .
C4 C 0.42212(17) 0.3966(3) 0.7955(2) 0.0300(8) Uani 1 1 d .
C5 C 0.53439(17) 0.3291(3) 0.7995(2) 0.0334(8) Uani 1 1 d .
C6 C 0.53335(17) 0.4171(3) 0.8488(2) 0.0364(9) Uani 1 1 d .
C7 C 0.58988(18) 0.2626(3) 0.7779(3) 0.0398(9) Uani 1 1 d .
H7A H 0.5776 0.2048 0.7417 0.060 Uiso 1 1 calc R
H7B H 0.6083 0.2289 0.8236 0.060 Uiso 1 1 calc R
H7C H 0.6194 0.3114 0.7545 0.060 Uiso 1 1 calc R
C8 C 0.5873(2) 0.4622(4) 0.8945(3) 0.0571(12) Uani 1 1 d .
H8A H 0.5743 0.5249 0.9250 0.086 Uiso 1 1 calc R
H8B H 0.6186 0.4862 0.8597 0.086 Uiso 1 1 calc R
H8C H 0.6038 0.4045 0.9281 0.086 Uiso 1 1 calc R
C9 C 0.1668(3) 0.5912(5) 0.5513(3) 0.0818(19) Uani 1 1 d .
C10 C 0.0695(3) 0.4402(6) 0.5484(4) 0.095(2) Uani 1 1 d .
C11 C 0.0637(3) 0.6537(4) 0.6328(3) 0.0658(14) Uani 1 1 d .
C12 C 0.0598(2) 0.4399(4) 0.7101(4) 0.0702(16) Uani 1 1 d .
C13 C 0.22905(17) 0.2873(3) 0.5702(2) 0.0350(9) Uani 1 1 d .
C14 C 0.2499(2) 0.1781(4) 0.5748(3) 0.0556(12) Uani 1 1 d .
H14 H 0.2387 0.1330 0.6162 0.067 Uiso 1 1 calc R
C15 C 0.2873(3) 0.1350(4) 0.5183(3) 0.0676(15) Uani 1 1 d .
H15 H 0.3006 0.0607 0.5214 0.081 Uiso 1 1 calc R
C16 C 0.3048(2) 0.2009(5) 0.4579(3) 0.0662(15) Uani 1 1 d .
H16 H 0.3308 0.1721 0.4207 0.079 Uiso 1 1 calc R
C17 C 0.2842(3) 0.3085(5) 0.4520(3) 0.0685(15) Uani 1 1 d .
H17 H 0.2955 0.3529 0.4103 0.082 Uiso 1 1 calc R
C18 C 0.2465(2) 0.3521(4) 0.5079(3) 0.0532(12) Uani 1 1 d .
H18 H 0.2327 0.4259 0.5036 0.064 Uiso 1 1 calc R
C19 C 0.15554(18) 0.2326(3) 0.7012(3) 0.0392(9) Uani 1 1 d .
C20 C 0.1709(2) 0.2076(4) 0.7771(3) 0.0599(13) Uani 1 1 d .
H20 H 0.2006 0.2504 0.8036 0.072 Uiso 1 1 calc R
C21 C 0.1424(3) 0.1189(5) 0.8150(4) 0.0825(19) Uani 1 1 d .
H21 H 0.1535 0.1030 0.8664 0.099 Uiso 1 1 calc R
C22 C 0.0990(3) 0.0560(5) 0.7778(4) 0.0851(19) Uani 1 1 d .
H22 H 0.0802 -0.0031 0.8035 0.102 Uiso 1 1 calc R
C23 C 0.0828(3) 0.0795(5) 0.7023(4) 0.0820(18) Uani 1 1 d .
H23 H 0.0530 0.0358 0.6764 0.098 Uiso 1 1 calc R
C24 C 0.1104(2) 0.1683(4) 0.6641(3) 0.0617(13) Uani 1 1 d .
H24 H 0.0983 0.1846 0.6130 0.074 Uiso 1 1 calc R
C25 C 0.1473(2) 0.5772(4) 0.8403(3) 0.0459(10) Uani 1 1 d .
C26 C 0.1030(3) 0.6563(5) 0.8584(3) 0.0757(17) Uani 1 1 d .
H26 H 0.0935 0.7138 0.8235 0.091 Uiso 1 1 calc R
C27 C 0.0730(3) 0.6507(7) 0.9276(4) 0.099(2) Uani 1 1 d .
H27 H 0.0430 0.7039 0.9388 0.119 Uiso 1 1 calc R
C28 C 0.0870(4) 0.5680(8) 0.9795(4) 0.119(3) Uani 1 1 d .
H28 H 0.0668 0.5648 1.0264 0.143 Uiso 1 1 calc R
C29 C 0.1300(4) 0.4908(8) 0.9628(5) 0.150(4) Uani 1 1 d .
H29 H 0.1393 0.4337 0.9981 0.179 Uiso 1 1 calc R
C30 C 0.1606(3) 0.4958(6) 0.8931(4) 0.095(2) Uani 1 1 d .
H30 H 0.1908 0.4425 0.8826 0.113 Uiso 1 1 calc R
C31 C 0.21625(19) 0.7264(3) 0.7488(3) 0.0415(10) Uani 1 1 d .
C32 C 0.2164(3) 0.7911(4) 0.6822(3) 0.0654(14) Uani 1 1 d .
H32 H 0.1989 0.7626 0.6362 0.078 Uiso 1 1 calc R
C33 C 0.2421(3) 0.8976(5) 0.6829(4) 0.087(2) Uani 1 1 d .
H33 H 0.2424 0.9398 0.6375 0.105 Uiso 1 1 calc R
C34 C 0.2668(3) 0.9403(4) 0.7494(5) 0.084(2) Uani 1 1 d .
H34 H 0.2836 1.0124 0.7497 0.100 Uiso 1 1 calc R
C35 C 0.2674(2) 0.8786(5) 0.8164(4) 0.0761(18) Uani 1 1 d .
H35 H 0.2849 0.9083 0.8620 0.091 Uiso 1 1 calc R
C36 C 0.2417(2) 0.7714(4) 0.8162(3) 0.0583(13) Uani 1 1 d .
H36 H 0.2418 0.7297 0.8619 0.070 Uiso 1 1 calc R
Mo2 Mo 0.445894(16) 0.47883(3) 0.382600(19) 0.03392(9) Uani 1 1 d .
Mo3 Mo 0.592845(16) 0.47536(3) 0.43738(2) 0.03480(9) Uani 1 1 d .
Mo4 Mo 0.493901(17) 0.30775(3) 0.52064(2) 0.03499(9) Uani 1 1 d .
O5 O 0.52769(12) 0.4614(2) 0.35300(15) 0.0367(6) Uani 1 1 d .
O6 O 0.45904(13) 0.6386(2) 0.38984(15) 0.0368(6) Uani 1 1 d .
O7 O 0.38057(12) 0.5068(2) 0.45922(15) 0.0368(6) Uani 1 1 d .
O8 O 0.44747(12) 0.32831(19) 0.42492(15) 0.0362(6) Uani 1 1 d .
O9 O 0.56738(12) 0.32256(19) 0.46238(15) 0.0363(6) Uani 1 1 d .
O10 O 0.57857(12) 0.6328(2) 0.42779(15) 0.0363(6) Uani 1 1 d .
O11 O 0.40354(14) 0.4625(2) 0.29960(16) 0.0467(7) Uani 1 1 d .
O12 O 0.65817(13) 0.4539(2) 0.38859(17) 0.0471(7) Uani 1 1 d .
O13 O 0.48896(15) 0.1685(2) 0.53573(17) 0.0485(7) Uani 1 1 d .
O14 O 0.5000 0.5000 0.5000 0.0278(8) Uani 1 2 d S
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'
S S 0.1246 0.1234 '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
C10 Mo1 C11 94.4(2) . .
C10 Mo1 C9 87.3(3) . .
C11 Mo1 C9 86.9(2) . .
C10 Mo1 C12 88.1(3) . .
C11 Mo1 C12 90.4(2) . .
C9 Mo1 C12 174.5(3) . .
C10 Mo1 P1 91.40(17) . .
C11 Mo1 P1 173.88(16) . .
C9 Mo1 P1 95.24(16) . .
C12 Mo1 P1 87.90(14) . .
C10 Mo1 P2 172.76(18) . .
C11 Mo1 P2 92.44(16) . .
C9 Mo1 P2 95.4(2) . .
C12 Mo1 P2 89.56(18) . .
P1 Mo1 P2 81.67(4) . .
C3 S1 C1 95.65(18) . .
C3 S2 C2 95.56(17) . .
C4 S3 C5 96.36(18) . .
C4 S4 C6 95.99(19) . .
C19 P1 C1 102.56(18) . .
C19 P1 C13 103.22(18) . .
C1 P1 C13 99.73(17) . .
C19 P1 Mo1 116.06(13) . .
C1 P1 Mo1 107.10(12) . .
C13 P1 Mo1 124.92(14) . .
C25 P2 C31 101.3(2) . .
C25 P2 C2 104.56(18) . .
C31 P2 C2 102.75(17) . .
C25 P2 Mo1 115.86(15) . .
C31 P2 Mo1 123.64(15) . .
C2 P2 Mo1 106.60(13) . .
C2 C1 S1 117.7(3) . .
C2 C1 P1 121.5(3) . .
S1 C1 P1 120.7(2) . .
C1 C2 S2 116.0(3) . .
C1 C2 P2 120.4(3) . .
S2 C2 P2 123.5(2) . .
C4 C3 S1 121.9(3) . .
C4 C3 S2 123.1(3) . .
S1 C3 S2 115.0(2) . .
C3 C4 S3 121.9(3) . .
C3 C4 S4 123.0(3) . .
S3 C4 S4 115.1(2) . .
C6 C5 C7 126.6(4) . .
C6 C5 S3 116.4(3) . .
C7 C5 S3 116.9(3) . .
C5 C6 C8 125.9(4) . .
C5 C6 S4 116.1(3) . .
C8 C6 S4 118.0(3) . .
O1 C9 Mo1 177.0(7) . .
O2 C10 Mo1 176.1(6) . .
O3 C11 Mo1 179.1(5) . .
O4 C12 Mo1 178.3(6) . .
C14 C13 C18 118.4(4) . .
C14 C13 P1 121.9(3) . .
C18 C13 P1 119.4(3) . .
C13 C14 C15 120.4(5) . .
C16 C15 C14 120.3(5) . .
C17 C16 C15 120.0(5) . .
C16 C17 C18 120.1(5) . .
C17 C18 C13 120.8(4) . .
C20 C19 C24 117.9(4) . .
C20 C19 P1 123.8(3) . .
C24 C19 P1 118.0(4) . .
C19 C20 C21 120.9(5) . .
C22 C21 C20 120.6(6) . .
C21 C22 C23 119.6(5) . .
C22 C23 C24 120.3(5) . .
C19 C24 C23 120.6(5) . .
C30 C25 C26 118.0(5) . .
C30 C25 P2 124.1(4) . .
C26 C25 P2 117.9(4) . .
C27 C26 C25 120.6(6) . .
C28 C27 C26 120.3(6) . .
C29 C28 C27 119.7(6) . .
C28 C29 C30 120.4(7) . .
C25 C30 C29 120.9(6) . .
C36 C31 C32 118.3(4) . .
C36 C31 P2 122.4(4) . .
C32 C31 P2 119.3(4) . .
C31 C32 C33 120.8(6) . .
C34 C33 C32 120.1(6) . .
C33 C34 C35 120.5(5) . .
C34 C35 C36 119.8(6) . .
C31 C36 C35 120.5(5) . .
O11 Mo2 O5 104.50(13) . .
O11 Mo2 O6 104.12(12) . .
O5 Mo2 O6 89.33(11) . .
O11 Mo2 O8 102.50(12) . .
O5 Mo2 O8 89.64(11) . .
O6 Mo2 O8 152.75(11) . .
O11 Mo2 O7 101.78(13) . .
O5 Mo2 O7 153.73(11) . .
O6 Mo2 O7 84.16(10) . .
O8 Mo2 O7 84.81(10) . .
O11 Mo2 O14 177.33(10) . .
O5 Mo2 O14 78.07(9) . .
O6 Mo2 O14 76.51(8) . .
O8 Mo2 O14 76.63(8) . .
O7 Mo2 O14 75.67(8) . .
O12 Mo3 O7 104.75(14) . 3_666
O12 Mo3 O10 104.00(12) . .
O7 Mo3 O10 90.88(11) 3_666 .
O12 Mo3 O9 102.41(12) . .
O7 Mo3 O9 88.63(11) 3_666 .
O10 Mo3 O9 152.79(11) . .
O12 Mo3 O5 101.95(13) . .
O7 Mo3 O5 153.20(11) 3_666 .
O10 Mo3 O5 84.84(11) . .
O9 Mo3 O5 83.46(11) . .
O12 Mo3 O14 177.17(11) . .
O7 Mo3 O14 77.78(8) 3_666 .
O10 Mo3 O14 77.08(8) . .
O9 Mo3 O14 76.24(7) . .
O5 Mo3 O14 75.48(7) . .
O13 Mo4 O9 103.28(13) . .
O13 Mo4 O8 102.97(13) . .
O9 Mo4 O8 87.61(12) . .
O13 Mo4 O6 103.68(13) . 3_666
O9 Mo4 O6 87.88(11) . 3_666
O8 Mo4 O6 153.31(10) . 3_666
O13 Mo4 O10 103.34(13) . 3_666
O9 Mo4 O10 153.38(10) . 3_666
O8 Mo4 O10 86.51(11) . 3_666
O6 Mo4 O10 85.84(11) 3_666 3_666
O13 Mo4 O14 179.61(11) . .
O9 Mo4 O14 77.10(7) . .
O8 Mo4 O14 76.90(7) . .
O6 Mo4 O14 76.44(7) 3_666 .
O10 Mo4 O14 76.28(7) 3_666 .
Mo2 O5 Mo3 116.38(13) . .
Mo2 O6 Mo4 116.82(12) . 3_666
Mo3 O7 Mo2 116.60(14) 3_666 .
Mo4 O8 Mo2 116.41(12) . .
Mo4 O9 Mo3 116.48(12) . .
Mo3 O10 Mo4 116.49(12) . 3_666
Mo4 O14 Mo4 180.0 3_666 .
Mo4 O14 Mo2 90.160(12) 3_666 .
Mo4 O14 Mo2 89.839(13) . .
Mo4 O14 Mo2 89.841(13) 3_666 3_666
Mo4 O14 Mo2 90.160(12) . 3_666
Mo2 O14 Mo2 180.0 . 3_666
Mo4 O14 Mo3 90.030(13) 3_666 3_666
Mo4 O14 Mo3 89.969(13) . 3_666
Mo2 O14 Mo3 89.93(2) . 3_666
Mo2 O14 Mo3 90.07(2) 3_666 3_666
Mo4 O14 Mo3 89.970(13) 3_666 .
Mo4 O14 Mo3 90.031(13) . .
Mo2 O14 Mo3 90.07(2) . .
Mo2 O14 Mo3 89.93(2) 3_666 .
Mo3 O14 Mo3 180.000(15) 3_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 C10 1.985(6) .
Mo1 C11 2.008(5) .
Mo1 C9 2.019(7) .
Mo1 C12 2.040(6) .
Mo1 P1 2.4553(11) .
Mo1 P2 2.4840(13) .
S1 C3 1.716(4) .
S1 C1 1.734(4) .
S2 C3 1.738(4) .
S2 C2 1.745(4) .
S3 C4 1.703(4) .
S3 C5 1.723(4) .
S4 C4 1.708(4) .
S4 C6 1.735(4) .
P1 C19 1.826(4) .
P1 C1 1.834(4) .
P1 C13 1.838(4) .
P2 C25 1.826(4) .
P2 C31 1.827(4) .
P2 C2 1.841(4) .
O1 C9 1.148(7) .
O2 C10 1.144(7) .
O3 C11 1.141(6) .
O4 C12 1.127(7) .
C1 C2 1.341(5) .
C3 C4 1.388(5) .
C5 C6 1.348(5) .
C5 C7 1.492(5) .
C6 C8 1.487(6) .
C13 C14 1.376(6) .
C13 C18 1.382(6) .
C14 C15 1.382(7) .
C15 C16 1.365(8) .
C16 C17 1.357(8) .
C17 C18 1.380(7) .
C19 C20 1.371(6) .
C19 C24 1.382(6) .
C20 C21 1.392(7) .
C21 C22 1.346(8) .
C22 C23 1.366(9) .
C23 C24 1.388(7) .
C25 C30 1.353(7) .
C25 C26 1.385(6) .
C26 C27 1.374(8) .
C27 C28 1.357(10) .
C28 C29 1.343(10) .
C29 C30 1.389(8) .
C31 C36 1.378(6) .
C31 C32 1.382(6) .
C32 C33 1.384(7) .
C33 C34 1.349(9) .
C34 C35 1.368(9) .
C35 C36 1.391(7) .
Mo2 O11 1.686(3) .
Mo2 O5 1.865(3) .
Mo2 O6 1.925(2) .
Mo2 O8 1.933(2) .
Mo2 O7 1.988(3) .
Mo2 O14 2.3195(7) .
Mo3 O12 1.683(3) .
Mo3 O7 1.867(3) 3_666
Mo3 O10 1.904(2) .
Mo3 O9 1.951(2) .
Mo3 O5 2.000(3) .
Mo3 O14 2.3236(7) .
Mo4 O13 1.681(2) .
Mo4 O9 1.911(3) .
Mo4 O8 1.920(3) .
Mo4 O6 1.930(3) 3_666
Mo4 O10 1.955(3) 3_666
Mo4 O14 2.3182(5) .
O6 Mo4 1.930(3) 3_666
O7 Mo3 1.867(3) 3_666
O10 Mo4 1.955(3) 3_666
O14 Mo4 2.3182(5) 3_666
O14 Mo2 2.3195(7) 3_666
O14 Mo3 2.3235(7) 3_666
