Reaction of isocyanides with a molybdenum complex containing a tridentate silyl-phosphine ligand: the Si ligand effect on site preference of the isocyanide ligands
Minato, Makoto; Kikutsuji, Gosuke; Kakeya, Masaki; Osakada, Kohtaro; Yamasaki, Mikio; Dalton Transactions  (2009) 7684–7687; doi:10.1039/b819837c

data_7002261
_publ_section_title
;
 Reaction of isocyanides with a molybdenum complex containing a
 tridentate silyl-phosphine ligand: the Si ligand effect on site
 preference of the isocyanide ligands
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              7684
_journal_page_last               7687
_journal_paper_doi               10.1039/b819837c
_journal_year                    2009
_chemical_formula_moiety         'C71 H68 Mo N P4 Si, C7 H8 '
_chemical_formula_sum            'C78 H76 Mo N P4 Si'
_chemical_formula_weight         1275.39
_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'
_cell_angle_alpha                78.492(6)
_cell_angle_beta                 83.694(7)
_cell_angle_gamma                86.519(7)
_cell_formula_units_Z            2
_cell_length_a                   12.916(3)
_cell_length_b                   13.954(3)
_cell_length_c                   18.290(4)
_cell_measurement_reflns_used    5597
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      3.1
_cell_volume                     3208.0(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2002
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.923
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17709
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_exptl_absorpt_coefficient_mu    0.368
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1334.00
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.79
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     762
_refine_ls_number_reflns         10486
_refine_ls_number_restraints     1
_refine_ls_R_factor_gt           0.0625
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0483P)^2^+9.2490P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1529
_reflns_number_gt                7384
_reflns_number_total             10486
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b819837c.txt
_cod_data_source_block           '__sc0466'
_cod_original_cell_volume        3207.8(13)
_cod_original_formula_sum        'C78 H76 Mo N P4 Si '
_cod_database_code               7002261