Embedding 1D or 2D cobalt-carboxylate substrates in 3D coordination polymers exhibiting slow magnetic relaxation behaviors: crystal structures, high-field EPR, and magnetic studies.
Mao, Nannan; Zhang, Biquan; Yu, Fan; Chen, Xi; Zhuang, Gui-Lin; Wang, Zhenxing; Ouyang, Zhongwen; Zhang, Tianle; Li, Bao; Dalton transactions (Cambridge, England : 2003) 46 (2017) 4786–4795; doi:10.1039/c7dt00168a

data_7042465
_publ_section_title
;
 Embedding 1D or 2D cobalt-carboxylate substrates in 3D coordination
 polymers exhibiting slow magnetic relaxation behaviors: crystal
 structures, high-field EPR, and magnetic studies.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4786
_journal_page_last               4795
_journal_paper_doi               10.1039/c7dt00168a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C6 H6 Co N2 O5'
_chemical_formula_weight         245.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-10-10 deposited with the CCDC.
2017-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.7218(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5261(10)
_cell_length_b                   12.536(2)
_cell_length_c                   9.6629(15)
_cell_measurement_reflns_used    1351
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      0.836
_cell_measurement_theta_min      0.764
_cell_volume                     764.6(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  BRUKER
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_unetI/netI     0.0235
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4368
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.993
_diffrn_reflns_theta_max         24.993
_diffrn_reflns_theta_min         2.716
_exptl_absorpt_coefficient_mu    2.246
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.094
_exptl_crystal_description       block
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.591
_refine_diff_density_min         -0.636
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     128
_refine_ls_number_reflns         1345
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0263
_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^)+(0.0400P)^2^+0.8010P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0708
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1201
_reflns_number_total             1345
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt00168a2.cif
_cod_data_source_block           compound2
_cod_depositor_comments
'Adding full bibliography for 7042465--7042466.cif.'
_cod_database_code               7042465
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.729
_shelx_estimated_absorpt_t_max   0.841
_shelx_res_checksum              45811