Preparation of a bis(hydrosulfido) complex of Mo having a tetraphosphine co-ligand and its transformation into MoRh2 and MoIr2 mixed-metal sulfido clusters
Iwasa, Kentaro; Seino, Hidetake; Niikura, Fumiya; Mizobe, Yasushi; Dalton Transactions  (2009) 6134–; doi:10.1039/b902386k

data_7001766
_publ_section_title
;
 Preparation of a bis(hydrosulfido) complex of Mo having a
 tetraphosphine co-ligand and its transformation into MoRh2 and MoIr2
 mixed-metal sulfido clusters
;
_journal_issue                   31
_journal_name_full               'Dalton Transactions'
_journal_page_first              6134
_journal_paper_doi               10.1039/b902386k
_journal_year                    2009
_chemical_formula_moiety         'C46 H44 Mo P4 S2 '
_chemical_formula_sum            'C46 H44 Mo P4 S2'
_chemical_formula_weight         880.81
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.7494(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.054(3)
_cell_length_b                   12.073(2)
_cell_length_c                   25.259(5)
_cell_measurement_reflns_used    10141
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.0
_cell_volume                     4163.0(14)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            33293
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_exptl_absorpt_coefficient_mu    0.601
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1816.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.92
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     528
_refine_ls_number_reflns         9892
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.2300\s(Fo^2^) + 0.0500]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1300
_reflns_number_gt                5700
_reflns_number_total             9892
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b902386k.txt
_cod_data_source_block           '__[Mo(SH)2(P4)]_(1)'
_cod_original_cell_volume        4163.1(15)
_cod_original_formula_sum        'C46 H44 Mo P4 S2 '
_cod_database_code               7001766