Synthesis of and Small Molecule Coordination to Highly Electrophilic Cationic Manganese(I) and Rhenium(I) Carbonyl Complexes with Tied-Back Phosphites
Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J.; Organometallics 19 (2000) 4141–; doi:10.1021/om0004693

data_4077570
_publ_section_title
;
 Synthesis of and Small Molecule Coordination to Highly Electrophilic
 Cationic Manganese(I) and Rhenium(I) Carbonyl Complexes with Tied-Back
 Phosphites
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4141
_journal_paper_doi               10.1021/om0004693
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C49 H40 B F24 O10 P2 Re'
_chemical_formula_weight         1503.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.3250(10)
_cell_angle_beta                 98.4470(10)
_cell_angle_gamma                102.836(2)
_cell_formula_units_Z            2
_cell_length_a                   12.9841(9)
_cell_length_b                   14.2024(10)
_cell_length_c                   16.3209(12)
_cell_measurement_temperature    203(2)
_cell_volume                     2897.8(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.907
_diffrn_measured_fraction_theta_max 0.907
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0937
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7597
_diffrn_reflns_theta_full        23.31
_diffrn_reflns_theta_max         23.31
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    2.283
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1480
_refine_diff_density_max         0.929
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.275
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         7597
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.275
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0644
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0327P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1152
_refine_ls_wR_factor_ref         0.1246
_reflns_number_gt                5884
_reflns_number_total             7597
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0004693.cif
_cod_data_source_block           ccd275
_cod_original_sg_symbol_H-M      '&#x0091;P 1&#x0092;'
_cod_database_code               4077570