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_4344893
_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 Mn3 O14'
_chemical_formula_sum            'C22 H20 Mn3 O14'
_chemical_formula_weight         673.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 106.885(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.893(5)
_cell_length_b                   6.618(3)
_cell_length_c                   17.337(8)
_cell_measurement_reflns_used    1408
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.092
_cell_measurement_theta_min      2.455
_cell_volume                     1195.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0539
_diffrn_reflns_av_sigmaI/netI    0.0678
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5613
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    1.636
_exptl_absorpt_correction_T_max  0.8406
_exptl_absorpt_correction_T_min  0.6852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.869
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             678
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.569
_refine_diff_density_min         -0.649
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2075
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1200P)^2^+0.4000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1428
_refine_ls_wR_factor_ref         0.1833
_reflns_number_gt                1447
_reflns_number_total             2075
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b00757_si_002.cif
_cod_data_source_block           1
_cod_original_cell_volume        1196.0(9)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4344893