Enhanced Photocurrent Response on a CdTe Incorporated Coordination Polymer Based on 3-(3-(1H-Imidazol-1-yl)phenyl)-5-(4-(1H-imidazol-1-yl)phenyl)-1-methyl-1H-1,2,4-triazole
Meng, Jiang Ping; Gong, Yun; Lin, Jianhua; RSC Adv.  (2016) –; doi:10.1039/C6RA11641H

data_7226088
_publ_section_title
;
 Enhanced Photocurrent Response on a CdTe Incorporated Coordination
 Polymer Based on
 3-(3-(1H-Imidazol-1-yl)phenyl)-5-(4-(1H-imidazol-1-yl)phenyl)-1-methyl-1H-1,2,4-triazole
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA11641H
_journal_year                    2016
_chemical_formula_sum            'C110 H100 N18 O29 Zn4'
_chemical_formula_weight         2399.56
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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
;
2016-04-27 deposited with the CCDC.
2016-07-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 94.2641(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.0967(4)
_cell_length_b                   18.4666(3)
_cell_length_c                   37.6140(7)
_cell_measurement_reflns_used    17591
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.8280
_cell_measurement_theta_min      3.6740
_cell_volume                     16691.3(5)
_computing_cell_refinement       'SMART (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SMART (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0361
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            16423
_diffrn_reflns_theta_full        73.20
_diffrn_reflns_theta_max         73.20
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    1.127
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, Agilent Technologies'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    0.955
_exptl_crystal_density_meas      0.953
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4952
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.14
_platon_squeeze_details
;
;
_refine_diff_density_max         1.332
_refine_diff_density_min         -1.262
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     753
_refine_ls_number_reflns         16423
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.1022
_refine_ls_R_factor_gt           0.0863
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1724P)^2^+21.7543P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2602
_refine_ls_wR_factor_ref         0.2744
_reflns_number_gt                12195
_reflns_number_total             16423
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra11641h2.cif
_cod_data_source_block           m77
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7226088