A novel multichromic Zn(II) cationic coordination polymer based on a new flexible viologen ligand exhibiting aniline detection in the solid state.
Zou, Jia Yun; Ji, Jie; Fan, Mei Hong; Li, Jia Yu; Wang, Hai Yu; Li, Guo-Dong; Dalton transactions (Cambridge, England : 2003) 50 (2021) 10237–10242; doi:10.1039/d1dt01685g

data_7707718
_publ_section_title
;
 A novel multichromic Zn(II) cationic coordination polymer based on a new
 flexible viologen ligand exhibiting aniline detection in the solid state.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10237
_journal_page_last               10242
_journal_paper_doi               10.1039/d1dt01685g
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C82 H56 N8 O29 Zn4'
_chemical_formula_weight         1878.82
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-01-28 deposited with the CCDC.	2021-06-21 downloaded from the CCDC.
;
_cell_angle_alpha                114.109(2)
_cell_angle_beta                 100.262(2)
_cell_angle_gamma                101.279(2)
_cell_formula_units_Z            2
_cell_length_a                   15.5797(7)
_cell_length_b                   16.7473(8)
_cell_length_c                   16.9714(8)
_cell_measurement_temperature    297(2)
_cell_volume                     3795.5(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            42805
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.381
_diffrn_reflns_theta_min         2.219
_exptl_absorpt_coefficient_mu    1.345
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_F_000             1912
_refine_diff_density_max         1.268
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1114
_refine_ls_number_reflns         13913
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0318P)^2^+3.4049P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0798
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11233
_reflns_number_total             13913
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt01685g2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7707716--7707718.cif.'
_cod_database_code               7707718
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              50984
_shelx_hkl_checksum              76356