Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure
Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción; RSC Advances 10 (2020) 45090–45104; doi:10.1039/D0RA09132D

data_7241941
_publ_section_title
;
 Single molecule magnets of cobalt and zinc homo- and heterometallic
 coordination polymers prepared by a one-step synthetic procedure
;
_journal_issue                   73
_journal_name_full               'RSC Advances'
_journal_page_first              45090
_journal_page_last               45104
_journal_paper_doi               10.1039/D0RA09132D
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C28 H18 Co F12 N2 O4'
_chemical_formula_weight         733.37
_chemical_name_systematic
;
'[Co(hfacac)4(BisPyBz)2]'
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_audit_update_record
;
2019-09-03 deposited with the CCDC.	2020-12-07 downloaded from the CCDC.
;
_cell_angle_alpha                104.4(2)
_cell_angle_beta                 96.3(2)
_cell_angle_gamma                97.5(2)
_cell_formula_units_Z            2
_cell_length_a                   8.9127(4)
_cell_length_b                   9.8610(5)
_cell_length_c                   17.5409(9)
_cell_measurement_temperature    100
_cell_volume                     1464.1(19)
_computing_data_reduction        'DAJUST (Vallcorba et al., 2012)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'RIBOLS (Rius, 2012)'
_diffrn_ambient_temperature      100
_diffrn_detector                 MYTHEN-II
_diffrn_measurement_device_type  'BL04 - MSPD'
_diffrn_radiation_monochromator  'Si (111)'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.61978
_exptl_absorpt_coefficient_mu    0.482
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_description       block
_exptl_crystal_F_000             734.0
_pd_char_colour                  orange
_pd_instr_location
;
'BL04-MSPD, ALBA Synchrotron Light Source (SPAIN)'
;
_pd_meas_2theta_range_inc        0.00600
_pd_meas_2theta_range_max        45.246
_pd_meas_2theta_range_min        1.026
_pd_meas_number_of_points        7370
_pd_proc_2theta_range_inc        0.00600
_pd_proc_2theta_range_max        34.998
_pd_proc_2theta_range_min        1.800
_pd_proc_ls_background_function
'linear extrapolation of automatically determined points'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_wR_factor       0.077
_pd_proc_number_of_points        5533
_pd_spec_mounting                'glass capillary'
_pd_spec_mount_mode              transmission
_refine_ls_goodness_of_fit_all   8.158
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2803
_refine_ls_number_restraints     172
_refine_ls_R_I_factor            0.032
_refine_ls_shift/su_max          0.097
_refine_ls_shift/su_mean         0.026
_refine_ls_weighting_details     1/Yobs
_refine_ls_weighting_scheme      calc
_cod_data_source_file            d0ra09132d2.cif
_cod_data_source_block           Co_cis
_cod_database_code               7241941