#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:41:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179342 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/39/4323908.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_4323908
loop_
_publ_author_name
'Philipp Stössel'
'Hermann A. Mayer'
'Cäcilia Maichle-Mössmer'
'Riad Fawzi'
'Manfred Steimann'
_publ_section_title
;
 The Mo(CO)3 Fragment as an Organometallic Protection Group in the
 Synthesis of Functionalized Tripodal Phosphine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5860
_journal_page_last               5867
_journal_paper_doi               10.1021/ic9602512
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C51 H51 Mo O6 P3'
_chemical_formula_weight         948.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 96.51(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.705(5)
_cell_length_b                   16.941(9)
_cell_length_c                   22.526(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      15
_cell_volume                     4438(4)
_computing_cell_refinement       'Siemens P4'
_computing_data_collection       'Siemens P4'
_computing_data_reduction        'Siemens XDISK'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  'Siemens XCIF'
_computing_structure_refinement  'SHELXTL-5.03 (Sheldrick, 1995)'
_computing_structure_solution    'SHELXTL-5.03 (Sheldrick, 1995)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'Omega Scan'
_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  0.0912
_diffrn_reflns_av_sigmaI/netI    0.0715
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            31234
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.06
_diffrn_standards_interval_count 58
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.455
_exptl_crystal_colour            colerless
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_description       cube
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.386
_refine_diff_density_min         -1.808
_refine_diff_density_rms         0.156
_refine_ls_extinction_coef       0.0002(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.544
_refine_ls_goodness_of_fit_obs   1.612
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         7826
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.544
_refine_ls_restrained_S_obs      1.612
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_obs          0.0540
_refine_ls_shift/esd_max         -0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;  
 calc [0.00000+1.00000exp(5.00(sinθ/λ)²)]/ 
   [σ²(Fo²)+0.0000+0.0000*P+(0.1059P)²+0.0000sinθ/λ] 
 where P = 0.33333Fo² + 0.66667Fc² 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1599
_refine_ls_wR_factor_obs         0.1375
_reflns_number_observed          5430
_reflns_number_total             7826
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9602512_2.cif
_cod_data_source_block           mayer15
_cod_original_cell_volume        4437.9(34)
_cod_database_code               4323908
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.50522(3) 0.80961(2) 0.84403(2) 0.01993(15) Uani 1 d . .
P1 P 0.60905(9) 0.78618(7) 0.94654(5) 0.0206(3) Uani 1 d . .
P2 P 0.67929(10) 0.75309(8) 0.80333(5) 0.0222(3) Uani 1 d . .
P3 P 0.42606(9) 0.67137(7) 0.85076(5) 0.0199(3) Uani 1 d . .
O1 O 0.3739(4) 0.8493(3) 0.7199(2) 0.0438(10) Uani 1 d . .
O2 O 0.2890(3) 0.8876(2) 0.8853(2) 0.0380(9) Uani 1 d . .
O3 O 0.5869(4) 0.9844(3) 0.8363(2) 0.0485(11) Uani 1 d . .
O4 O 0.8044(4) 0.6054(2) 1.0194(2) 0.0399(9) Uani 1 d . .
O5 O 0.5757(3) 0.4670(2) 0.9110(2) 0.0357(8) Uani 1 d . .
O6 O 0.8652(3) 0.5530(2) 0.8413(2) 0.0336(8) Uani 1 d . .
C1 C 0.4247(4) 0.8312(3) 0.7645(2) 0.0296(11) Uani 1 d . .
C2 C 0.3683(4) 0.8564(3) 0.8722(2) 0.0243(9) Uani 1 d . .
C3 C 0.5620(5) 0.9188(4) 0.8399(2) 0.0372(13) Uani 1 d . .
C4 C 0.6817(4) 0.6888(3) 0.9533(2) 0.0230(9) Uani 1 d . .
C5 C 0.5907(4) 0.6230(3) 0.9441(2) 0.0257(10) Uani 1 d . .
H5A H 0.5256(4) 0.6387(3) 0.9660(2) 0.031 Uiso 1 calc R .
H5B H 0.6247(4) 0.5749(3) 0.9638(2) 0.031 Uiso 1 calc R .
C6 C 0.5405(4) 0.5997(3) 0.8807(2) 0.0227(9) Uani 1 d . .
C7 C 0.6347(4) 0.5972(3) 0.8381(2) 0.0242(10) Uani 1 d . .
H7A H 0.6727(4) 0.5450(3) 0.8431(2) 0.029 Uiso 1 calc R .
H7B H 0.5957(4) 0.5992(3) 0.7968(2) 0.029 Uiso 1 calc R .
C8 C 0.7298(4) 0.6599(3) 0.8430(2) 0.0219(9) Uani 1 d . .
C9 C 0.7709(4) 0.6793(3) 0.9084(2) 0.0234(9) Uani 1 d . .
H9A H 0.8156(4) 0.7290(3) 0.9088(2) 0.028 Uiso 1 calc R .
H9B H 0.8251(4) 0.6373(3) 0.9237(2) 0.028 Uiso 1 calc R .
C10 C 0.7406(4) 0.6761(3) 1.0170(2) 0.0272(10) Uani 1 d . .
H10A H 0.7924(4) 0.7210(3) 1.0288(2) 0.033 Uiso 1 calc R .
H10B H 0.6819(4) 0.6733(3) 1.0453(2) 0.033 Uiso 1 calc R .
C11 C 0.8400(6) 0.5836(4) 1.0788(3) 0.047(2) Uani 1 d . .
H11A H 0.8837(6) 0.5342(4) 1.0793(3) 0.057 Uiso 1 calc R .
H11B H 0.7724(6) 0.5762(4) 1.1002(3) 0.057 Uiso 1 calc R .
H11C H 0.8888(6) 0.6253(4) 1.0983(3) 0.057 Uiso 1 calc R .
C12 C 0.4934(4) 0.5154(3) 0.8797(2) 0.0267(10) Uani 1 d . .
H12A H 0.4211(4) 0.5139(3) 0.8987(2) 0.032 Uiso 1 calc R .
H12B H 0.4767(4) 0.4968(3) 0.8380(2) 0.032 Uiso 1 calc R .
C13 C 0.5628(7) 0.3872(3) 0.8938(3) 0.047(2) Uani 1 d . .
H13A H 0.6225(7) 0.3555(3) 0.9167(3) 0.056 Uiso 1 calc R .
H13B H 0.5700(7) 0.3822(3) 0.8511(3) 0.056 Uiso 1 calc R .
H13C H 0.4868(7) 0.3684(3) 0.9018(3) 0.056 Uiso 1 calc R .
C14 C 0.8339(4) 0.6271(3) 0.8157(2) 0.0266(10) Uani 1 d . .
H14A H 0.8149(4) 0.6213(3) 0.7720(2) 0.032 Uiso 1 calc R .
H14B H 0.8992(4) 0.6643(3) 0.8231(2) 0.032 Uiso 1 calc R .
C15 C 0.9628(5) 0.5241(4) 0.8175(3) 0.0419(14) Uani 1 d . .
H15A H 0.9845(5) 0.4729(4) 0.8356(3) 0.050 Uiso 1 calc R .
H15B H 1.0265(5) 0.5615(4) 0.8261(3) 0.050 Uiso 1 calc R .
H15C H 0.9455(5) 0.5179(4) 0.7741(3) 0.050 Uiso 1 calc R .
C16 C 0.8279(5) 0.8593(3) 0.9886(2) 0.0315(11) Uani 1 d . .
H16A H 0.8667(5) 0.8107(3) 0.9842(2) 0.038 Uiso 1 calc R .
C17 C 0.8888(5) 0.9242(4) 1.0111(2) 0.0433(15) Uani 1 d . .
H17A H 0.9694(5) 0.9200(4) 1.0220(2) 0.052 Uiso 1 calc R .
C18 C 0.8344(6) 0.9950(4) 1.0181(2) 0.0440(15) Uani 1 d . .
H18A H 0.8767(6) 1.0389(4) 1.0351(2) 0.053 Uiso 1 calc R .
C19 C 0.7196(6) 1.0020(4) 1.0004(2) 0.0410(13) Uani 1 d . .
H19A H 0.6821(6) 1.0512(4) 1.0040(2) 0.049 Uiso 1 calc R .
C20 C 0.6576(5) 0.9369(3) 0.9772(2) 0.0317(11) Uani 1 d . .
H20A H 0.5778(5) 0.9421(3) 0.9644(2) 0.038 Uiso 1 calc R .
C21 C 0.7108(4) 0.8642(3) 0.9723(2) 0.0233(9) Uani 1 d . .
C22 C 0.5807(4) 0.8077(3) 1.0686(2) 0.0297(10) Uani 1 d . .
H22A H 0.6621(4) 0.8111(3) 1.0754(2) 0.036 Uiso 1 calc R .
C23 C 0.5172(5) 0.8189(4) 1.1154(2) 0.0380(12) Uani 1 d . .
H23A H 0.5547(5) 0.8293(4) 1.1542(2) 0.046 Uiso 1 calc R .
C24 C 0.3991(5) 0.8151(4) 1.1062(2) 0.0370(12) Uani 1 d . .
H24A H 0.3550(5) 0.8235(4) 1.1385(2) 0.044 Uiso 1 calc R .
C25 C 0.3456(5) 0.7992(3) 1.0502(2) 0.0324(11) Uani 1 d . .
H25A H 0.2641(5) 0.7967(3) 1.0436(2) 0.039 Uiso 1 calc R .
C26 C 0.4099(4) 0.7866(3) 1.0031(2) 0.0255(10) Uani 1 d . .
H26A H 0.3721(4) 0.7745(3) 0.9646(2) 0.031 Uiso 1 calc R .
C27 C 0.5283(4) 0.7916(3) 1.0114(2) 0.0239(9) Uani 1 d . .
C28 C 0.8946(5) 0.7941(4) 0.7656(2) 0.0361(12) Uani 1 d . .
H28A H 0.8819(5) 0.7520(4) 0.7378(2) 0.043 Uiso 1 calc R .
C29 C 0.9944(5) 0.8373(4) 0.7687(3) 0.0434(14) Uani 1 d . .
H29A H 1.0512(5) 0.8240(4) 0.7434(3) 0.052 Uiso 1 calc R .
C30 C 1.0134(5) 0.8988(5) 0.8074(3) 0.051(2) Uani 1 d . .
H30A H 1.0828(5) 0.9281(5) 0.8089(3) 0.061 Uiso 1 calc R .
C31 C 0.9321(6) 0.9185(4) 0.8442(3) 0.048(2) Uani 1 d . .
H31A H 0.9447(6) 0.9619(4) 0.8708(3) 0.057 Uiso 1 calc R .
C32 C 0.8309(5) 0.8746(4) 0.8425(2) 0.0344(12) Uani 1 d . .
H32A H 0.7750(5) 0.8880(4) 0.8683(2) 0.041 Uiso 1 calc R .
C33 C 0.8115(4) 0.8122(3) 0.8036(2) 0.0264(10) Uani 1 d . .
C34 C 0.6421(4) 0.6624(4) 0.6937(2) 0.0309(11) Uani 1 d . .
H34A H 0.6564(4) 0.6148(4) 0.7156(2) 0.037 Uiso 1 calc R .
C35 C 0.6093(5) 0.6594(4) 0.6329(2) 0.0402(14) Uani 1 d . .
H35A H 0.6002(5) 0.6096(4) 0.6137(2) 0.048 Uiso 1 calc R .
C36 C 0.5896(5) 0.7262(5) 0.6002(2) 0.045(2) Uani 1 d . .
H36A H 0.5648(5) 0.7232(5) 0.5586(2) 0.054 Uiso 1 calc R .
C37 C 0.6062(5) 0.7983(4) 0.6278(2) 0.0440(15) Uani 1 d . .
H37A H 0.5957(5) 0.8456(4) 0.6051(2) 0.053 Uiso 1 calc R .
C38 C 0.6379(5) 0.8017(4) 0.6881(2) 0.0378(13) Uani 1 d . .
H38A H 0.6488(5) 0.8519(4) 0.7068(2) 0.045 Uiso 1 calc R .
C39 C 0.6544(4) 0.7345(3) 0.7229(2) 0.0284(11) Uani 1 d . .
C40 C 0.2998(4) 0.6161(3) 0.9463(2) 0.0292(10) Uani 1 d . .
H40A H 0.3647(4) 0.5858(3) 0.9618(2) 0.035 Uiso 1 calc R .
C41 C 0.2002(5) 0.6148(4) 0.9750(2) 0.0346(12) Uani 1 d . .
H41A H 0.1970(5) 0.5826(4) 1.0093(2) 0.042 Uiso 1 calc R .
C42 C 0.1068(4) 0.6598(4) 0.9536(2) 0.0369(12) Uani 1 d . .
H42A H 0.0389(4) 0.6585(4) 0.9730(2) 0.044 Uiso 1 calc R .
C43 C 0.1117(4) 0.7069(4) 0.9041(2) 0.0376(13) Uani 1 d . .
H43A H 0.0481(4) 0.7392(4) 0.8898(2) 0.045 Uiso 1 calc R .
C44 C 0.2095(4) 0.7066(3) 0.8755(2) 0.0294(11) Uani 1 d . .
H44A H 0.2117(4) 0.7384(3) 0.8409(2) 0.035 Uiso 1 calc R .
C45 C 0.3047(4) 0.6615(3) 0.8954(2) 0.0257(10) Uani 1 d . .
C46 C 0.3835(4) 0.6515(3) 0.7278(2) 0.0255(10) Uani 1 d . .
H46A H 0.4375(4) 0.6931(3) 0.7262(2) 0.031 Uiso 1 calc R .
C47 C 0.3315(4) 0.6183(3) 0.6747(2) 0.0316(11) Uani 1 d . .
H47A H 0.3510(4) 0.6368(3) 0.6373(2) 0.038 Uiso 1 calc R .
C48 C 0.2525(4) 0.5592(3) 0.6767(2) 0.0322(11) Uani 1 d . .
H48A H 0.2166(4) 0.5368(3) 0.6407(2) 0.039 Uiso 1 calc R .
C49 C 0.2253(4) 0.5325(3) 0.7307(2) 0.0334(11) Uani 1 d . .
H49A H 0.1703(4) 0.4915(3) 0.7320(2) 0.040 Uiso 1 calc R .
C50 C 0.2772(4) 0.5646(3) 0.7832(2) 0.0266(10) Uani 1 d . .
H50A H 0.2578(4) 0.5454(3) 0.8204(2) 0.032 Uiso 1 calc R .
C51 C 0.3575(4) 0.6248(3) 0.7822(2) 0.0230(9) Uani 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C2 Mo1 C1 84.0(2) . . ?
C2 Mo1 C3 85.9(2) . . ?
C1 Mo1 C3 84.9(2) . . ?
C2 Mo1 P2 177.31(14) . . ?
C1 Mo1 P2 93.61(15) . . ?
C3 Mo1 P2 92.8(2) . . ?
C2 Mo1 P1 95.40(14) . . ?
C1 Mo1 P1 178.3(2) . . ?
C3 Mo1 P1 93.50(15) . . ?
P2 Mo1 P1 86.99(5) . . ?
C2 Mo1 P3 92.11(15) . . ?
C1 Mo1 P3 94.9(2) . . ?
C3 Mo1 P3 178.0(2) . . ?
P2 Mo1 P3 89.25(5) . . ?
P1 Mo1 P3 86.62(4) . . ?
C21 P1 C27 95.0(2) . . ?
C21 P1 C4 109.9(2) . . ?
C27 P1 C4 104.7(2) . . ?
C21 P1 Mo1 113.96(15) . . ?
C27 P1 Mo1 119.0(2) . . ?
C4 P1 Mo1 112.62(14) . . ?
C39 P2 C33 97.8(2) . . ?
C39 P2 C8 109.5(2) . . ?
C33 P2 C8 103.7(2) . . ?
C39 P2 Mo1 112.4(2) . . ?
C33 P2 Mo1 120.4(2) . . ?
C8 P2 Mo1 111.77(14) . . ?
C45 P3 C51 97.5(2) . . ?
C45 P3 C6 108.0(2) . . ?
C51 P3 C6 104.5(2) . . ?
C45 P3 Mo1 115.3(2) . . ?
C51 P3 Mo1 118.4(2) . . ?
C6 P3 Mo1 111.7(2) . . ?
C10 O4 C11 111.0(4) . . ?
C12 O5 C13 112.3(4) . . ?
C14 O6 C15 109.7(4) . . ?
O1 C1 Mo1 174.3(5) . . ?
O2 C2 Mo1 175.0(4) . . ?
O3 C3 Mo1 174.9(5) . . ?
C10 C4 C5 104.7(4) . . ?
C10 C4 C9 109.4(4) . . ?
C5 C4 C9 110.3(4) . . ?
C10 C4 P1 110.7(3) . . ?
C5 C4 P1 109.2(3) . . ?
C9 C4 P1 112.2(3) . . ?
C4 C5 C6 119.8(4) . . ?
C12 C6 C7 104.3(4) . . ?
C12 C6 C5 110.7(4) . . ?
C7 C6 C5 111.2(4) . . ?
C12 C6 P3 110.9(3) . . ?
C7 C6 P3 109.0(3) . . ?
C5 C6 P3 110.6(3) . . ?
C8 C7 C6 120.0(4) . . ?
C9 C8 C14 106.6(4) . . ?
C9 C8 C7 111.4(4) . . ?
C14 C8 C7 108.9(4) . . ?
C9 C8 P2 109.0(3) . . ?
C14 C8 P2 109.7(3) . . ?
C7 C8 P2 111.2(3) . . ?
C8 C9 C4 119.3(4) . . ?
O4 C10 C4 109.5(4) . . ?
O5 C12 C6 108.3(4) . . ?
O6 C14 C8 109.9(4) . . ?
C21 C16 C17 120.5(6) . . ?
C18 C17 C16 120.8(6) . . ?
C17 C18 C19 119.8(5) . . ?
C18 C19 C20 119.8(6) . . ?
C19 C20 C21 120.9(5) . . ?
C16 C21 C20 118.2(5) . . ?
C16 C21 P1 129.2(4) . . ?
C20 C21 P1 112.6(4) . . ?
C27 C22 C23 121.3(5) . . ?
C24 C23 C22 120.1(5) . . ?
C23 C24 C25 119.6(5) . . ?
C24 C25 C26 120.3(5) . . ?
C27 C26 C25 120.7(5) . . ?
C26 C27 C22 118.0(4) . . ?
C26 C27 P1 119.3(3) . . ?
C22 C27 P1 122.4(4) . . ?
C29 C28 C33 119.8(6) . . ?
C28 C29 C30 121.1(6) . . ?
C31 C30 C29 120.0(5) . . ?
C30 C31 C32 119.9(6) . . ?
C33 C32 C31 120.3(5) . . ?
C32 C33 C28 118.8(5) . . ?
C32 C33 P2 119.9(4) . . ?
C28 C33 P2 121.3(4) . . ?
C35 C34 C39 120.3(6) . . ?
C36 C35 C34 121.4(6) . . ?
C35 C36 C37 119.2(5) . . ?
C36 C37 C38 119.7(6) . . ?
C37 C38 C39 122.2(6) . . ?
C34 C39 C38 117.2(4) . . ?
C34 C39 P2 128.1(4) . . ?
C38 C39 P2 114.6(4) . . ?
C41 C40 C45 120.5(5) . . ?
C42 C41 C40 120.1(5) . . ?
C41 C42 C43 120.1(5) . . ?
C44 C43 C42 119.3(5) . . ?
C43 C44 C45 122.2(5) . . ?
C44 C45 C40 117.9(4) . . ?
C44 C45 P3 114.6(4) . . ?
C40 C45 P3 127.6(4) . . ?
C51 C46 C47 120.9(5) . . ?
C48 C47 C46 119.8(5) . . ?
C49 C48 C47 119.9(5) . . ?
C48 C49 C50 120.4(5) . . ?
C51 C50 C49 120.7(5) . . ?
C46 C51 C50 118.3(4) . . ?
C46 C51 P3 119.3(4) . . ?
C50 C51 P3 122.4(3) . . ?
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 1.958(5) . ?
Mo1 C1 1.962(5) . ?
Mo1 C3 1.971(7) . ?
Mo1 P2 2.5164(15) . ?
Mo1 P1 2.5161(15) . ?
Mo1 P3 2.529(2) . ?
P1 C21 1.829(5) . ?
P1 C27 1.831(5) . ?
P1 C4 1.854(5) . ?
P2 C39 1.830(5) . ?
P2 C33 1.843(5) . ?
P2 C8 1.876(5) . ?
P3 C45 1.840(5) . ?
P3 C51 1.835(4) . ?
P3 C6 1.876(5) . ?
O1 C1 1.149(6) . ?
O2 C2 1.136(6) . ?
O3 C3 1.153(8) . ?
O4 C10 1.409(7) . ?
O4 C11 1.405(6) . ?
O5 C12 1.393(6) . ?
O5 C13 1.409(7) . ?
O6 C14 1.413(6) . ?
O6 C15 1.404(6) . ?
C4 C10 1.536(6) . ?
C4 C5 1.540(7) . ?
C4 C9 1.542(6) . ?
C5 C6 1.532(6) . ?
C6 C12 1.531(7) . ?
C6 C7 1.542(6) . ?
C7 C8 1.533(7) . ?
C8 C9 1.533(5) . ?
C8 C14 1.530(6) . ?
C16 C21 1.381(7) . ?
C16 C17 1.376(8) . ?
C17 C18 1.376(10) . ?
C18 C19 1.362(10) . ?
C19 C20 1.390(8) . ?
C20 C21 1.389(8) . ?
C22 C27 1.390(7) . ?
C22 C23 1.368(7) . ?
C23 C24 1.375(9) . ?
C24 C25 1.370(8) . ?
C25 C26 1.384(7) . ?
C26 C27 1.379(7) . ?
C28 C29 1.375(8) . ?
C28 C33 1.401(7) . ?
C29 C30 1.359(10) . ?
C30 C31 1.373(10) . ?
C31 C32 1.395(8) . ?
C32 C33 1.375(8) . ?
C34 C35 1.379(7) . ?
C34 C39 1.388(8) . ?
C35 C36 1.357(10) . ?
C36 C37 1.374(10) . ?
C37 C38 1.370(8) . ?
C38 C39 1.382(8) . ?
C40 C41 1.395(7) . ?
C40 C45 1.386(7) . ?
C41 C42 1.375(9) . ?
C42 C43 1.378(9) . ?
C43 C44 1.375(7) . ?
C44 C45 1.383(7) . ?
C46 C51 1.373(7) . ?
C46 C47 1.397(7) . ?
C47 C48 1.367(8) . ?
C48 C49 1.368(8) . ?
C49 C50 1.379(7) . ?
C50 C51 1.388(7) . ?
