Enantiopure phosphonic acids as chiral inducers: homochiral crystallization of cobalt coordination polymers showing field-induced slow magnetization relaxation
Jian-Shen Feng; Min Ren; Zhong-Sheng Cai; Kun Fan; Song-Song Bao; Li-Min Zheng; Chem.Commun. 52 (2016) 6877–; doi:

data_7119010
_publ_section_title
;
 Enantiopure phosphonic acids as chiral inducers: homochiral
 crystallization of cobalt coordination polymers showing field-induced
 slow magnetization relaxation
;
_journal_name_full               Chem.Commun.
_journal_page_first              6877
_journal_volume                  52
_journal_year                    2016
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C22 H24 Co N4 O7 S'
_chemical_formula_sum            'C22 H24 Co N4 O7 S'
_chemical_formula_weight         547.44
_chemical_name_systematic        '(M)-Co(SO4)(1,3-bbix)(H2O)3 '
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-03-18 deposited with the CCDC.
2016-04-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.039(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.479(4)
_cell_length_b                   8.356(3)
_cell_length_c                   12.079(4)
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_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.498
_cell_measurement_theta_min      2.696
_cell_volume                     1124.0(7)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX DUO'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0673
_diffrn_reflns_av_unetI/netI     0.1039
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.978
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_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9857
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.685
_diffrn_reflns_theta_min         1.829
_exptl_absorpt_coefficient_mu    0.910
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            red
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_exptl_crystal_description       block
_exptl_crystal_F_000             566
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
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_refine_diff_density_max         2.677
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.05(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         4181
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1110
_refine_ls_R_factor_gt           0.0976
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1304P)^2^+9.9313P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2295
_refine_ls_wR_factor_ref         0.2384
_reflns_Friedel_coverage         0.877
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_reflns_Friedel_fraction_max     0.983
_reflns_number_gt                3619
_reflns_number_total             4181
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc02463g2.cif
_cod_data_source_block           1M
_cod_original_cell_volume        1124.0(6)
_cod_database_code               7119010
_shelx_estimated_absorpt_t_min   0.839
_shelx_estimated_absorpt_t_max   0.956
_shelxl_version_number           2013-4
_shelx_res_checksum              70972