Tunable photo/thermochromic properties of Cd(II)-viologen coordination polymers modulated by coordination modes for flexible imaging films and anti-counterfeiting.
Huang, Li; Li, Xiao-Nan; Shen, Yuan; Hua, Yang; Song, Run-Hong; Cui, Wen-Bo; Li, Zi-Yi; Zhang, Hong; Dalton transactions (Cambridge, England : 2003) 53 (2024) 8803–8811; doi:10.1039/d4dt00764f

data_7715906
_publ_section_title
;
 Tunable photo/thermochromic properties of Cd(II)-viologen coordination
 polymers modulated by coordination modes for flexible imaging films and
 anti-counterfeiting.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8803
_journal_page_last               8811
_journal_paper_doi               10.1039/d4dt00764f
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         '2(C33 H22 Cd2 N2 O11), 2(C H3 O0.50), 2(H2 O)'
_chemical_formula_sum            'C68 H54 Cd4 N4 O25'
_chemical_formula_weight         1776.79
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-10-24 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.272(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.4800(13)
_cell_length_b                   21.078(3)
_cell_length_c                   17.495(3)
_cell_measurement_reflns_used    18961
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      66.884
_cell_measurement_theta_min      3.345
_cell_volume                     3387.9(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18961
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        66.884
_diffrn_reflns_theta_max         66.884
_diffrn_reflns_theta_min         3.345
_exptl_absorpt_coefficient_mu    10.652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_description       block
_exptl_crystal_F_000             1764
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   0.585
_exptl_transmission_factor_min   0.412
_refine_diff_density_max         1.623
_refine_diff_density_min         -1.466
_refine_diff_density_rms         0.198
_refine_ls_extinction_coef       0.00076(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         5925
_refine_ls_number_restraints     488
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0652P)^2^+49.6682P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1476
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5153
_reflns_number_total             5925
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00764f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7715906--7715907.cif.'
_cod_original_cell_volume        3388.0(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7715906
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              73767