Synthesis of planar chiral (1,3-disubstituted arene)Mn(CO)3+ cations via addition of nucleophiles to (oxocyclohexadienyl)Mn(CO)3 in the presence of chiral ligandsElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b201341j/
Son, Seung Uk; Park, Kang Hyun; Lee, Seung Jung; Seo, Hwimin; Chung, Young Keun; Chemical Communications  (2002) 1230–; doi:10.1039/b201341j

data_7114385
_publ_section_title
;
 Synthesis of planar chiral (1,3-disubstituted arene)Mn(CO)3+ cations via
 addition of nucleophiles to (oxocyclohexadienyl)Mn(CO)3 in the presence
 of chiral ligandsElectronic supplementary information (ESI) available:
 experimental section. See http://www.rsc.org/suppdata/cc/b2/b201341j/
;
_journal_issue                   11
_journal_name_full               'Chemical Communications'
_journal_page_first              1230
_journal_paper_doi               10.1039/b201341j
_journal_year                    2002
_chemical_formula_sum            'C48 H36 B F4 Mn3 O9'
_chemical_formula_weight         1008.40
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 114.0125(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.1163(4)
_cell_length_b                   10.6658(3)
_cell_length_c                   17.0086(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2504.93(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.907
_diffrn_measured_fraction_theta_max 0.907
_diffrn_measurement_device_type  'Kappa ccd'
_diffrn_measurement_method       'pi omega scan'
_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    0.1592
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8913
_diffrn_reflns_theta_full        27.39
_diffrn_reflns_theta_max         27.39
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    0.810
_exptl_absorpt_correction_type   'not done'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.99
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.775
_refine_diff_density_min         -1.377
_refine_diff_density_rms         0.387
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         8913
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.2221
_refine_ls_R_factor_gt           0.1325
_refine_ls_shift/su_max          2.576
_refine_ls_shift/su_mean         0.305
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3333
_refine_ls_wR_factor_ref         0.3716
_reflns_number_gt                3894
_reflns_number_total             8913
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b201341j.txt
_cod_data_source_block           mn
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7114385