Homochiral and heterochiral Mn(ii) coordination frameworks: spontaneous resolution dependent on dipyridyl ligands.
Yue, Qi; Wang, Na-Na; Guo, Shao-Yun; Liang, Lu-Lu; Gao, En-Qing; Dalton transactions (Cambridge, England : 2003) 45 (2016) 1335–1338; doi:10.1039/c5dt04385a

data_7037748
_publ_section_title
;
 Homochiral and heterochiral Mn(ii) coordination frameworks: spontaneous
 resolution dependent on dipyridyl ligands.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1335
_journal_page_last               1338
_journal_paper_doi               10.1039/c5dt04385a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C21 H21 Mn2 N O13.5'
_chemical_formula_weight         613.27
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-12-17 deposited with the CCDC.
2015-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.38
_cell_volume                     2445.35(11)
_computing_cell_refinement       'Bruker SMART'
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0307
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_diffrn_reflns_laue_measured_fraction_max 0.974
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_diffrn_reflns_limit_k_max       38
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_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.976
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_exptl_absorpt_correction_T_min  0.6797
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_exptl_crystal_preparation       'Magnetic properties'
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.03(2)
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     15
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_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0288P)^2^+1.6702P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0834
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_reflns_friedel_fraction_max     0.979
_reflns_number_gt                5528
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'Adding full bibliography for 7037748--7037750.cif.'
_cod_database_code               7037748
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