Two Homochiral Bimetallic Metal‒Organic Frameworks Composed of a Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional Properties of Sorption, Magnetism, and Enantioselective Separation
Ryu, Dae Won; Lee, Woo Ram; Lim, Kwang Soo; Phang, Won Ju; Hong, Chang Seop; Crystal Growth & Design 14 (2014) 6472–; doi:10.1021/cg501332u

data_4512330
_publ_section_title
;
 Two Homochiral Bimetallic Metal--Organic Frameworks Composed of a
 Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional
 Properties of Sorption, Magnetism, and Enantioselective Separation
;
_journal_issue                   12
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              6472
_journal_paper_doi               10.1021/cg501332u
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C52 H70 B2 Co Cu4 N18 O16'
_chemical_formula_weight         1537.97
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 118.24(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.604(5)
_cell_length_b                   18.113(4)
_cell_length_c                   18.925(4)
_cell_measurement_reflns_used    31763
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.23
_cell_measurement_theta_min      0.43
_cell_volume                     8034(4)
_computing_cell_refinement       HKL2000
_computing_data_collection       'PAL ADSC Quantum-210'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    WingX
_computing_publication_material  WingX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.567
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_monochromator  'Pt coated Si double crystal'
_diffrn_radiation_source         'bending magnet beamline'
_diffrn_radiation_type           synchrotron
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_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
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_diffrn_reflns_number            21577
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.29
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    1.307
_exptl_absorpt_correction_T_max  0.9807
_exptl_absorpt_correction_T_min  0.8621
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   HKL2000-Scalepack
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3156
_exptl_crystal_size_max          0.12
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_platon_squeeze_details
;
;
_refine_diff_density_max         1.041
_refine_diff_density_min         -0.722
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
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_refine_ls_number_reflns         14012
_refine_ls_number_restraints     1
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_refine_ls_R_factor_all          0.1036
_refine_ls_R_factor_gt           0.0811
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1776P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2290
_refine_ls_wR_factor_ref         0.2540
_reflns_number_gt                9944
_reflns_number_total             14012
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg501332u_si_002.cif
_cod_data_source_block           compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4512329--4512330.cif.
;
_cod_original_cell_volume        8034(3)
_cod_original_sg_symbol_H-M      C2
_cod_database_code               4512330