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_4077569
_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 H27 B F24 Mn O7 P'
_chemical_formula_weight         1280.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.339(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.1505(9)
_cell_length_b                   14.6079(7)
_cell_length_c                   21.074(1)
_cell_measurement_temperature    203(2)
_cell_volume                     5478.5(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_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  0.0371
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19915
_diffrn_reflns_theta_max         23.44
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    0.400
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2552
_refine_diff_density_max         0.937
_refine_diff_density_min         -0.647
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     939
_refine_ls_number_reflns         7675
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0826
_refine_ls_R_factor_gt           0.0602
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1289P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1761
_refine_ls_wR_factor_ref         0.1948
_reflns_number_gt                5635
_reflns_number_total             7675
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0004693.cif
_cod_data_source_block           ccd260
_cod_original_cell_volume        5478.6(5)
_cod_original_sg_symbol_H-M      '&#x0091;P 21/n&#x0092;'
_cod_database_code               4077569