Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear Co<sup>II</sup>-Co<sup>III</sup> complexes.
Paul, Aparup; Viciano-Chumillas, Marta; Puschmann, Horst; Cano, Joan; Manna, Subal Chandra; Dalton transactions (Cambridge, England : 2003) 49 (2020) 9516–9528; doi:10.1039/d0dt00588f

data_7704678
_publ_section_title
;
 Field-induced slow magnetic relaxation in mixed valence di- and
 tri-nuclear Co<sup>II</sup>-Co<sup>III</sup> complexes.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9516
_journal_page_last               9528
_journal_paper_doi               10.1039/d0dt00588f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C32 H41 Co2 N2 O9, C3 H7 N O'
_chemical_formula_sum            'C35 H48 Co2 N3 O10'
_chemical_formula_weight         788.62
_chemical_name_common            ICVU-218
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2020-01-14 deposited with the CCDC.	2020-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.9666(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5739(7)
_cell_length_b                   19.9284(9)
_cell_length_c                   12.7149(6)
_cell_measurement_reflns_used    5828
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.8340
_cell_measurement_theta_min      2.4891
_cell_volume                     3633.4(3)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'Phi and Omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20763
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.016
_diffrn_reflns_theta_min         2.018
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.973
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1652
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.360
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         8413
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0476P)^2^+0.9867P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0904
_refine_ls_wR_factor_ref         0.0989
_reflns_number_gt                6339
_reflns_number_total             8413
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00588f2.cif
_cod_data_source_block           a140628mas3
_cod_depositor_comments
'Adding full bibliography for 7704677--7704678.cif.'
_cod_database_code               7704678