Reactions of quadruply chelated silyl- and germyl-molybdenum hydrido complexes with isocyanides: observation of the trans-influence on the silyl ligand
Minato, Makoto; Nishiuchi, Jun-ya; Kakeya, Masaki; Matsumoto, Takaomi; Yamaguchi, Yoshitaka; Ito, Takashi; Dalton Transactions  (2003) 483–; doi:10.1039/b209624m

data_7012287
_publ_section_title
;
 Reactions of quadruply chelated silyl- and germyl-molybdenum hydrido
 complexes with isocyanides: observation of the trans-influence on the
 silyl ligand
;
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              483
_journal_paper_doi               10.1039/b209624m
_journal_year                    2003
_chemical_formula_moiety         'C67 H61 N Mo P4 Si '
_chemical_formula_sum            'C67 H61 Mo N P4 Si'
_chemical_formula_weight         1128.15
_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'
_audit_creation_date             'Tue Jan 23 15:12:34 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                104.04(4)
_cell_angle_beta                 113.30(3)
_cell_angle_gamma                90.16(5)
_cell_formula_units_Z            2
_cell_length_a                   14.298(6)
_cell_length_b                   17.097(9)
_cell_length_c                   12.788(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      12.0
_cell_measurement_theta_min      10.2
_cell_volume                     2768(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_measured_fraction_theta_full 1.0001
_diffrn_measured_fraction_theta_max 1.0001
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13141
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        16.64
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.417
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     667
_refine_ls_number_reflns         12717
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.0356
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1273
_reflns_number_gt                7186
_reflns_number_total             12717
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b209624m.txt
_cod_data_source_block           nij134/ito_lab/YNU
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C67 H61 N Mo P4 Si '
_cod_database_code               7012287