Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation
Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav; CrystEngComm 27 (2025) 2462–2469; doi:10.1039/D5CE00124B

data_7250110
_publ_section_title
;
 Sunlight-driven photocatalytic degradation of organic dyes using Cu(i)
 coordination polymers: an efficient and recyclable solution for
 wastewater remediation
;
_journal_issue                   16
_journal_name_full               CrystEngComm
_journal_page_first              2462
_journal_page_last               2469
_journal_paper_doi               10.1039/D5CE00124B
_journal_volume                  27
_journal_year                    2025
_chemical_formula_moiety         'C9 H11 Cu I N S2'
_chemical_formula_sum            'C9 H11 Cu I N S2'
_chemical_formula_weight         387.75
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-01-09 deposited with the CCDC.	2025-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.1222(9)
_cell_length_b                   8.7885(4)
_cell_length_c                   14.5433(7)
_cell_measurement_reflns_used    6693
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.7460
_cell_measurement_theta_min      3.4550
_cell_volume                     2444.1(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.905
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9744
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.905
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.839
_diffrn_reflns_theta_min         2.910
_exptl_absorpt_coefficient_mu    4.617
_exptl_crystal_density_diffrn    2.108
_exptl_crystal_description       block
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.643
_refine_diff_density_min         -1.078
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.853
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         2894
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.853
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0304
_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^)+(0.0550P)^2^+4.3240P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0809
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2597
_reflns_number_total             2894
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ce00124b2.cif
_cod_data_source_block           ar051
_cod_depositor_comments
'Adding full bibliography for 7250110--7250111.cif.'
_cod_database_code               7250110
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.338
_shelx_estimated_absorpt_t_min   0.338
_olex2_refinement_description
;
1.a Ternary CH refined with riding coordinates:
 C008(H008)
1.b Secondary CH2 refined with riding coordinates:
 C00B(H00B,H00C), C00D(H00E,H00F), C00E(H00G,H00H)
1.c Aromatic/amide H refined with riding coordinates:
 C007(H007), C009(H009), C00A(H00A), C00C(H00D)
;
_shelx_res_checksum              68995