Two zinc(ii)-based coordination polymers with flexible dicarboxylate and pyridine mixed ligands: effect of π⋯π interactions on electrical activity
Akhtaruzzaman, Akhtaruzzaman; Das, Pubali; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Islam, Sakhiul; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; New Journal of Chemistry 43 (2019) 16071–; doi:10.1039/C9NJ03986D

data_7058833
_publ_section_title
;
 Two zinc(ii)-based coordination polymers with flexible dicarboxylate and
 pyridine mixed ligands: effect of \p&#x22EF;\p interactions on electrical
 activity
;
_journal_issue                   40
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16071
_journal_paper_doi               10.1039/C9NJ03986D
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C19 H19 N O4 Zn'
_chemical_formula_sum            'C19 H19 N O4 Zn'
_chemical_formula_weight         390.74
_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_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-04-29 deposited with the CCDC.    2019-09-18 downloaded from the CCDC.
;
_cell_angle_alpha                83.8490(10)
_cell_angle_beta                 84.6820(10)
_cell_angle_gamma                81.1340(10)
_cell_formula_units_Z            2
_cell_length_a                   8.5614(3)
_cell_length_b                   9.3895(3)
_cell_length_c                   11.0353(3)
_cell_measurement_reflns_used    8412
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.25
_cell_measurement_theta_min      2.75
_cell_volume                     868.83(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      294(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
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13037
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.262
_diffrn_reflns_theta_min         2.415
_diffrn_source                   Mo
_exptl_absorpt_coefficient_mu    1.436
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_description       prism
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.185
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.012
_exptl_transmission_factor_max   0.982
_exptl_transmission_factor_min   0.756
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3506
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0361
_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^)+(0.1000P)^2^+0.0260P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1084
_refine_ls_wR_factor_ref         0.1238
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2999
_reflns_number_total             3506
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj03986d2.cif
_cod_data_source_block           1136Ex_0m_a
_cod_depositor_comments
'Adding full bibliography for 7058832--7058833.cif.'
_cod_database_code               7058833
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              70795