Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation
Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun; CrystEngComm 20 (2018) 4042–; doi:10.1039/C8CE00860D

data_7230955
_publ_section_title
;
 Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient
 heterogeneous catalysts for dye degradation
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              4042
_journal_paper_doi               10.1039/C8CE00860D
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C92 H70 Co5 N4 O34'
_chemical_formula_sum            'C92 H70 Co5 N4 O34'
_chemical_formula_weight         2070.17
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-04-12 deposited with the CCDC.
2018-06-20 downloaded from the CCDC.
;
_cell_angle_alpha                83.428(2)
_cell_angle_beta                 72.557(2)
_cell_angle_gamma                71.871(2)
_cell_formula_units_Z            1
_cell_length_a                   9.8329(10)
_cell_length_b                   14.8689(16)
_cell_length_c                   15.4142(16)
_cell_measurement_reflns_used    5360
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.462
_cell_measurement_theta_min      2.297
_cell_volume                     2042.7(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0845
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11303
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    1.093
_exptl_absorpt_correction_T_max  0.786
_exptl_absorpt_correction_T_min  0.744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1057
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.125
_refine_diff_density_min         -1.820
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         7132
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.1281
_refine_ls_R_factor_gt           0.0970
_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^)+(0.0316P)^2^+27.4154P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2030
_refine_ls_wR_factor_ref         0.2130
_reflns_number_gt                5360
_reflns_number_total             7132
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8ce00860d2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-08-09

 Adding full bibliography for 7230953--7230955.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7230955