Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands
Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei; CrystEngComm 21 (2019) 3798–; doi:10.1039/C9CE00433E

data_7232819
_publ_section_title
;
 Syntheses, structural diversity, and photocatalytic-degradation
 properties for methylene blue of Co(ii) and Ni(ii) MOFs based on
 terephthalic acid and different imidazole bridging ligands
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              3798
_journal_paper_doi               10.1039/C9CE00433E
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C22 H22 Co N4 O6'
_chemical_formula_sum            'C22 H22 Co N4 O6'
_chemical_formula_weight         497.36
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
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;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_audit_update_record
;
2018-05-09 deposited with the CCDC.    2019-05-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.750(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   17.4240(11)
_cell_length_c                   11.3309(6)
_cell_measurement_reflns_used    33972
_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      2.980
_cell_volume                     2165.1(2)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           'MO K\a'
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_diffrn_reflns_av_unetI/netI     0.0686
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_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
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_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_theta_min         2.980
_diffrn_source_current           n/a
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_refine_ls_restrained_S_all      1.200
_refine_ls_R_factor_all          0.1606
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0410P)^2^+34.0558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2855
_refine_ls_wR_factor_ref         0.2999
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3635
_reflns_number_total             4968
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ce00433e2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7232814--7232819.cif.'
_cod_database_code               7232819
_olex2_submission_special_instructions 'No special instructions were received'
_shelx_res_checksum              28667
_shelxl_version_number           2014-3