Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands
Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua; CrystEngComm 18 (2016) 2901–; doi:10.1039/C5CE02473K

data_7224772
_publ_section_title
;
 Syntheses, structural diversity and photocatalytic properties of various
 Co(ii) coordination polymers based on a &#x201C;V&#x201D;-shaped
 1,3-di(4&#x2032;-carboxyl-phenyl)benzene acid and different imidazole
 bridging ligands
;
_journal_issue                   16
_journal_name_full               CrystEngComm
_journal_page_first              2901
_journal_paper_doi               10.1039/C5CE02473K
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C80 H58 Co2 N10 O8'
_chemical_formula_weight         1405.22
_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
_audit_update_record
;
2015-05-02 deposited with the CCDC.
2016-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 101.308(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.836(3)
_cell_length_b                   14.4409(13)
_cell_length_c                   14.2280(12)
_cell_measurement_reflns_used    3127
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.098
_cell_measurement_theta_min      2.235
_cell_volume                     6615.7(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0899
_diffrn_reflns_av_sigmaI/netI    0.1312
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            33145
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    0.570
_exptl_absorpt_correction_T_max  0.9347
_exptl_absorpt_correction_T_min  0.8386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2904
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.302
_refine_diff_density_min         -0.223
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     903
_refine_ls_number_reflns         11655
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1692
_refine_ls_R_factor_gt           0.0774
_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^)+(0.0718P)^2^+0.5952P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1816
_refine_ls_wR_factor_ref         0.2048
_reflns_number_gt                5078
_reflns_number_total             11655
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02473k2.cif
_cod_data_source_block           150430f
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7224771--7224774.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7224772