Linear dicarboxylate-based pyridyl-appended cobalt(ii) coordination polymers in search of opto-electronic properties
Ahmed, Faruk; Datta, Joydeep; Khan, Samim; Dutta, Basudeb; Islam, Sakhiul; Naaz, Sanobar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; New Journal of Chemistry 44 (2020) 9004–9009; doi:10.1039/D0NJ00567C

data_7059594
_publ_section_title
;
 Linear dicarboxylate-based pyridyl-appended cobalt(ii) coordination
 polymers in search of opto-electronic properties
;
_journal_issue                   21
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9004
_journal_page_last               9009
_journal_paper_doi               10.1039/D0NJ00567C
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C26 H20 Br2 Co N2 O7'
_chemical_formula_weight         691.19
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-01-28 deposited with the CCDC.	2020-05-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   9.8051(6)
_cell_measurement_reflns_used    8386
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.32
_cell_measurement_theta_min      2.63
_cell_volume                     2750.1(3)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_min         2.401
_diffrn_source                   Mo
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_exptl_absorpt_correction_T_max  0.463
_exptl_absorpt_correction_T_min  0.230
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 (Bruker AXS Inc. 2007)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.669
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.1081
_refine_ls_R_factor_gt           0.0778
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1461P)^2^+22.7389P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2190
_refine_ls_wR_factor_ref         0.2630
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1795
_reflns_number_total             2422
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj00567c2.cif
_cod_data_source_block           693M_a_a
_cod_depositor_comments
;Adding full bibliography for 7059593--7059594.cif.

 Adding full bibliography for 7059593--7059594.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7059594
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