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_4112723
_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 H59 Br Ni2 P4 '
_chemical_formula_sum            'C26 H59 Br Ni2 P4'
_chemical_formula_weight         692.95
_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
_cell_angle_beta                 92.59(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.337(11)
_cell_length_b                   15.64(1)
_cell_length_c                   19.15(3)
_cell_measurement_reflns_used    62
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      27.8764
_cell_measurement_theta_min      1.3019
_cell_volume                     3392(7)
_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 0.9599
_diffrn_measured_fraction_theta_max 0.9705
_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  0.061
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20282
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         27.88
_exptl_absorpt_coefficient_mu    2.493
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5383
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'red brown'
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_description       prism
_exptl_crystal_F_000             1464.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.94
_refine_diff_density_min         -3.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.410
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     298
_refine_ls_number_reflns         7892
_refine_ls_R_factor_gt           0.1360
_refine_ls_shift/su_max          0.0150
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.4150
_reflns_number_gt                5166
_reflns_number_total             7892
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja047956ksi20040408_031300_4.cif
_cod_data_source_block           '_deprot'
_cod_original_cell_volume        3392.9(70)
_cod_original_formula_sum        'C26 H59 Br Ni2 P4 '
_cod_database_code               4112723