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_7130848
_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 N O4 Zn'
_chemical_formula_weight         466.80
_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                79.050(2)
_cell_angle_beta                 88.970(2)
_cell_angle_gamma                84.185(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6664(6)
_cell_length_b                   9.5962(7)
_cell_length_c                   12.8603(9)
_cell_measurement_reflns_used    9915
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.11
_cell_measurement_theta_min      2.32
_cell_volume                     1044.64(13)
_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 0.996
_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  0.0293
_diffrn_reflns_av_unetI/netI     0.0163
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            37404
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.143
_diffrn_reflns_theta_min         2.863
_exptl_absorpt_coefficient_mu    1.208
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_description       needle
_exptl_crystal_F_000             484.0
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.303
_refine_diff_density_min         -0.195
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4613
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0221
_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^)+(0.0248P)^2^+0.4004P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0585
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4381
_reflns_number_total             4613
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2cc04135a7.cif
_cod_data_source_block           Zn6chdc
_cod_depositor_comments
'Adding full bibliography for 7130848--7130849.cif.'
_cod_database_code               7130848
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              67277
_shelx_hkl_checksum              15560