Photomechanical effect in Zn(II) and Cd(II) 1D coordination polymers: photosalient to non-salient behaviour.
Khan, Samim; Naaz, Sanobar; Ekka, Akansha; Dutta, Basudeb; Roy, Sourav; Medishetty, Raghavender; Mir, Mohammad Hedayetullah; Chemical communications (Cambridge, England) 58 (2022) 12102–12105; doi:10.1039/d2cc04135a

data_7130849
_publ_section_title
;
 Photomechanical effect in Zn(II) and Cd(II) 1D coordination polymers:
 photosalient to non-salient behaviour.
;
_journal_issue                   86
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12102
_journal_page_last               12105
_journal_paper_doi               10.1039/d2cc04135a
_journal_volume                  58
_journal_year                    2022
_chemical_formula_sum            'C25 H23 Cd N O4'
_chemical_formula_weight         513.80
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-06-09 deposited with the CCDC.	2022-10-03 downloaded from the CCDC.
;
_cell_angle_alpha                97.577(4)
_cell_angle_beta                 102.802(4)
_cell_angle_gamma                102.063(4)
_cell_formula_units_Z            2
_cell_length_a                   9.4781(16)
_cell_length_b                   9.8709(16)
_cell_length_c                   12.141(2)
_cell_measurement_reflns_used    9843
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.554
_cell_measurement_theta_min      2.114
_cell_volume                     1064.1(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_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  0.0524
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            31928
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.175
_diffrn_reflns_theta_min         2.488
_exptl_absorpt_coefficient_mu    1.058
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_description       block
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.702
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4715
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0337P)^2^+0.8850P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0803
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4396
_reflns_number_total             4715
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2cc04135a7.cif
_cod_data_source_block           Cd6chdc
_cod_depositor_comments
'Adding full bibliography for 7130848--7130849.cif.'
_cod_database_code               7130849
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              72069
_shelx_hkl_checksum              86988