High diastereoselectivity in borohydride reductions of coordinated imines.
Wilson-Coutts, Sarah M; Browne, Julian M. W.; Marsh, Liesl C.; Polson, Matthew I. J.; Hartshorn, Richard M.; Dalton transactions (Cambridge, England : 2003) 41 (2012) 1591–1596; doi:10.1039/c1dt11704a

data_7017941
_publ_section_title
;
 High diastereoselectivity in borohydride reductions of coordinated
 imines.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1591
_journal_page_last               1596
_journal_paper_doi               10.1039/c1dt11704a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C12 H24 Co N4 O4, 2 (H2 O), Cl'
_chemical_formula_sum            'C12 H28 Cl Co N4 O6'
_chemical_formula_weight         418.76
_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                 96.930(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5702(12)
_cell_length_b                   21.160(3)
_cell_length_c                   12.3205(19)
_cell_measurement_reflns_used    8944
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      20.19
_cell_measurement_theta_min      1.92
_cell_volume                     1959.1(5)
_computing_cell_refinement       'APEXII V1.0-27'
_computing_data_collection       'APEXII V1.0-27 (Bruker 2004)'
_computing_data_reduction        'APEXII V1.0-27'
_computing_molecular_graphics
;
Mercury, V1.4, (Bruno et al., 2002)
;
_computing_structure_refinement  'APEXII V1.0-27'
_computing_structure_solution    'APEXII V1.0-27'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1210
_diffrn_reflns_av_sigmaI/netI    0.0883
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            31973
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.92
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.045
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.657856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEXII V1.0-27 (Bruker, 2004) '
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.024
_refine_diff_density_min         -1.405
_refine_diff_density_rms         0.180
_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     244
_refine_ls_number_reflns         3456
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.1688
_refine_ls_R_factor_gt           0.1291
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0954P)^2^+47.1083P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3195
_refine_ls_wR_factor_ref         0.3428
_reflns_number_gt                2405
_reflns_number_total             3456
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c1dt11704a.txt
_cod_data_source_block           swcc
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7017941