Synthesis of planar chiral tricarbonylcyclopentadienylmanganese complexes using a Mn(CO)3+ transfer reaction
Son, Seung Uk; Park, Kang Hyun; Lee, Seung Jung; Chung, Young Keun; Sweigart, Dwight A.; Chemical Communications  (2001) 1290–; doi:10.1039/b102693n

data_7114996
_publ_section_title
;
 Synthesis of planar chiral tricarbonylcyclopentadienylmanganese complexes
 using a Mn(CO)3+ transfer reaction
;
_journal_issue                   14
_journal_name_full               'Chemical Communications'
_journal_page_first              1290
_journal_paper_doi               10.1039/b102693n
_journal_year                    2001
_chemical_formula_sum            'C26 H24 Mn O6 P'
_chemical_formula_weight         518.40 
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.6659(2)
_cell_length_b                   17.7774(8)
_cell_length_c                   18.6479(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2541.33(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.829
_diffrn_measured_fraction_theta_max 0.829
_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    0.0320
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            4238
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    0.155
_exptl_crystal_density_diffrn    0.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             268
_refine_diff_density_max         0.455
_refine_diff_density_min         -0.436
_refine_diff_density_rms         0.106
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4238
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0526
_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^)+(0.0687P)^2^+1.7932P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1398
_refine_ls_wR_factor_ref         0.1445
_reflns_number_gt                3965
_reflns_number_total             4238
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b102693n.txt
_cod_data_source_block           no
_cod_database_code               7114996