Activity of Mo-Mo and Mo-P multiple bonds at the phosphinidene complex [Mo2Cp2{mu-P(2,4,6-C6H2tBu3)}(mu-CO)2] in reactions with isocyanides and phosphine ligands
M. Angeles Alvareza; Inmaculada Amora; M. Esther Garciaa; Daniel Garcia-Vivoa; Miguel A. Ruiza; David Saeza; Hayrullo Hamidovb; John C. Jefferyb; Inorganica Chimica Acta 424 (2015) 103–115; doi:

data_1518793
_publ_section_title
;
 Activity of Mo-Mo and Mo-P multiple bonds at the phosphinidene complex
 [Mo2Cp2{mu-P(2,4,6-C6H2tBu3)}(mu-CO)2] in reactions with isocyanides and
 phosphine ligands
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              103
_journal_page_last               115
_journal_volume                  424
_journal_year                    2015
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C35 H53 Mo2 O2 P3, C7 H8'
_chemical_formula_sum            'C42 H61 Mo2 O2 P3'
_chemical_formula_weight         882.7
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2014-03-07T18:44:46-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 92.635(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.053(3)
_cell_length_b                   24.543(9)
_cell_length_c                   18.662(7)
_cell_measurement_reflns_used    964
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      23.43
_cell_measurement_theta_min      2.645
_cell_measurement_wavelength     0.71073
_cell_volume                     4142(3)
_computing_cell_refinement       'SAINT+ (Bruker AXS)'
_computing_data_collection       'SMART (Bruker AXS)'
_computing_data_reduction        'SAINT+ (Bruker AXS)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF99 (Bruker AXS)'
_diffrn_ambient_temperature      253(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Smart-CCD-1000 BRUKER'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1088
_diffrn_reflns_av_unetI/netI     0.0954
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            51779
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    0.755
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.736874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER Sadabs'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.913
_refine_diff_density_min         -0.999
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         10020
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1258
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0289P)^2^+24.1296P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1303
_reflns_number_gt                5917
_reflns_number_total             10020
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ICA-2015-424-103-115-3.cif
_cod_data_source_block           compound6
_cod_database_code               1518793