Three luminescent d10 metal coordination polymers assembled from a semirigid V-shaped ligand with high selective detecting of Cu2+ ion and nitrobenzene
Wu, Wei-Ping; Liu, Ping; Liang, Yu-Tong; Cui, Lin; Xi, Zheng-Ping; Wang, Yao-Yu; Journal of Solid State Chemistry 228 (2015) 124–130; doi:10.1016/j.jssc.2015.04.009

data_1561888
_publ_section_title
;
 Three luminescent d10 metal coordination polymers assembled from a
 semirigid V-shaped ligand with high selective detecting of Cu2+ ion and
 nitrobenzene
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              124
_journal_page_last               130
_journal_paper_doi               10.1016/j.jssc.2015.04.009
_journal_volume                  228
_journal_year                    2015
_chemical_formula_sum            'C24 H22 N4 O4 Zn'
_chemical_formula_weight         495.82
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 93.585(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.8741(18)
_cell_length_b                   16.612(5)
_cell_length_c                   9.609(3)
_cell_measurement_reflns_used    3232
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.75
_cell_measurement_theta_min      2.45
_cell_volume                     1095.1(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR92 (Altomare, 1993)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_av_unetI/netI     0.0661
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6586
_diffrn_reflns_point_group_measured_fraction_full 0.910
_diffrn_reflns_point_group_measured_fraction_max 0.856
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.184
_diffrn_reflns_theta_min         2.124
_exptl_absorpt_coefficient_mu    1.161
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.823
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_description       rodlike
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.919
_refine_diff_density_min         -1.131
_refine_diff_density_rms         0.233
_refine_ls_abs_structure_details
;
 Flack x determined using 1673 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.036(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.194
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4605
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0448
_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^+0.6819P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1163
_refine_ls_wR_factor_ref         0.1825
_reflns_Friedel_coverage         0.753
_reflns_Friedel_fraction_full    0.834
_reflns_Friedel_fraction_max     0.762
_reflns_number_gt                4201
_reflns_number_total             4605
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            1a.cif
_cod_data_source_block           1a
_cod_original_cell_volume        1095.1(5)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1561888
_shelxl_version_number           2013-2
_shelx_res_checksum              87488
_shelx_hkl_checksum              33251