Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding
David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz; Journal of the American Chemical Society 126 (2004) 8132–8133; doi:10.1021/ja047956k

data_4112722
_publ_section_title
;
 Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with
 Linear M-H-M Bonding
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8132
_journal_page_last               8133
_journal_paper_doi               10.1021/ja047956k
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C26 H61 Br Ni2 P4 '
_chemical_formula_sum            'C26 H61 Br Ni2 P4'
_chemical_formula_weight         694.97
_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'
_cell_angle_alpha                90
_cell_angle_beta                 101.5(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.74(4)
_cell_length_b                   22.33(8)
_cell_length_c                   14.66(7)
_cell_measurement_reflns_used    79
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      27.8764
_cell_measurement_theta_min      1.9339
_cell_volume                     3445(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.9575
_diffrn_measured_fraction_theta_max 0.9690
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.135
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20385
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         27.88
_exptl_absorpt_coefficient_mu    2.455
_exptl_absorpt_correction_T_max  0.000
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'red brown'
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_description       prism
_exptl_crystal_F_000             1472.00
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.20
_refine_diff_density_min         -1.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     315
_refine_ls_number_reflns         7990
_refine_ls_R_factor_gt           0.1040
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0832P)^2^+21.2888P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2260
_reflns_number_gt                5217
_reflns_number_total             7990
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja047956ksi20040408_031300_3.cif
_cod_data_source_block           '_clip'
_cod_original_cell_volume        3445.6(24)
_cod_original_sg_symbol_Hall     '-P 2ybc'
_cod_original_sg_symbol_H-M      'P 1 21/c 1'
_cod_original_formula_sum        'C26 H61 Br Ni2 P4 '
_cod_database_code               4112722