Two Isostructural Metal-Organic Frameworks Directed by the Different Center Metal Ions, Exhibiting the Ferrimagnetic Behavior and Slow Magnetic Relaxation.
Wu, Yun-Long; Guo, Fu-Sheng; Yang, Guo-Ping; Wang, Lu; Jin, Jun-Cheng; Zhou, Xiang; Zhang, Wen-Yan; Wang, Yao-Yu; Inorganic chemistry 55 (2016) 6592–6596; doi:10.1021/acs.inorgchem.6b00757

data_4344894
_publ_section_title
;
 Two Isostructural Metal-Organic Frameworks Directed by the Different
 Center Metal Ions, Exhibiting the Ferrimagnetic Behavior and Slow
 Magnetic Relaxation.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6592
_journal_page_last               6596
_journal_paper_doi               10.1021/acs.inorgchem.6b00757
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C22 H20 Co3 O14'
_chemical_formula_sum            'C22 H20 Co3 O14'
_chemical_formula_weight         685.17
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 105.867(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.911(4)
_cell_length_b                   6.413(3)
_cell_length_c                   17.045(7)
_cell_measurement_reflns_used    1532
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.159
_cell_measurement_theta_min      3.548
_cell_volume                     1147.2(8)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    APEX2
_computing_publication_material  APEX2
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  \w
_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  0.0755
_diffrn_reflns_av_sigmaI/netI    0.0716
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.94
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_exptl_absorpt_coefficient_mu    2.223
_exptl_absorpt_correction_T_max  0.8422
_exptl_absorpt_correction_T_min  0.7763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.983
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             690
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_exptl_crystal_size_mid          0.09
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_refine_diff_density_max         1.302
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_refine_diff_density_rms         0.455
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2006
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0996
_refine_ls_R_factor_gt           0.0551
_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^)+(0.1800P)^2^+0.0800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1647
_refine_ls_wR_factor_ref         0.2520
_reflns_number_gt                1344
_reflns_number_total             2006
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b00757_si_002.cif
_cod_data_source_block           2
_cod_original_cell_volume        1147.3(8)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4344894