Synthesis and reactivity of homo- and hetero-dimetallic complexes bridged by diphenyl-2-pyridylphosphine and hydrides: regioselectivity of alkyne insertion into unsaturated M1(μ-PPh2Py)(μ-H)2M2 moieties
Takahashi, Yoshinori; Murakami, Naoaki; Fujita, Ken-ichi; Yamaguchi, Ryohei; Dalton Transactions  (2009) 2029–2042; doi:10.1039/b815890h

data_7000739
_publ_section_title
;
 Synthesis and reactivity of homo- and hetero-dimetallic complexes
 bridged by diphenyl-2-pyridylphosphine and hydrides: regioselectivity
 of alkyne insertion into unsaturated M1(\m-PPh2Py)(\m-H)2M2 moieties
;
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              2029
_journal_page_last               2042
_journal_paper_doi               10.1039/b815890h
_journal_year                    2009
_chemical_formula_moiety         'C90 H96 B2 Ir2 N P Si '
_chemical_formula_sum            'C90 H96 B2 Ir2 N P Si'
_chemical_formula_weight         1656.87
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   18.3200(3)
_cell_length_b                   18.9064(3)
_cell_length_c                   45.7263(8)
_cell_measurement_reflns_used    63693
_cell_measurement_temperature    173(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     15838.0(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_diffrn_ambient_temperature      173(1)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.081
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_number            139956
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    3.447
_exptl_absorpt_correction_T_max  0.381
_exptl_absorpt_correction_T_min  0.187
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6688.00
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.28
_refine_diff_density_max         4.81
_refine_diff_density_min         -1.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     969
_refine_ls_number_reflns         10067
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0614
_reflns_number_gt                9174
_reflns_number_total             18126
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b815890h.txt
_cod_data_source_block           8-BPh4
_cod_original_formula_sum        'C90 H96 B2 Ir2 N P Si '
_cod_database_code               7000739