Electron transport chain-inspired coordination polymers for macroscopic spatiotemporal scales of charge separation and transport in photocatalysis.
Ma, Lin; Zhang, Tiexin; Li, Mochen; Zhang, Xu; Li, Lanqiao; Shi, Yusheng; Cai, Rui; Yang, Xueming; Duan, Chunying; Chemical science 15 (2024) 17150–17160; doi:10.1039/d4sc05592f

data_1572622
_publ_section_title
;
 Electron transport chain-inspired coordination polymers for macroscopic
 spatiotemporal scales of charge separation and transport in
 photocatalysis.
;
_journal_issue                   41
_journal_name_full               'Chemical science'
_journal_page_first              17150
_journal_page_last               17160
_journal_paper_doi               10.1039/d4sc05592f
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C3.75 H1.75 Cd0.25 N0.75 O1.75 S0.25'
_chemical_formula_weight         121.42
_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
;
2024-07-11 deposited with the CCDC.	2024-09-19 downloaded from the CCDC.
;
_cell_angle_alpha                108.398(4)
_cell_angle_beta                 91.815(4)
_cell_angle_gamma                108.545(4)
_cell_formula_units_Z            8
_cell_length_a                   7.7436(17)
_cell_length_b                   9.132(2)
_cell_length_c                   12.604(3)
_cell_measurement_reflns_used    9850
_cell_measurement_temperature    260(2)
_cell_measurement_theta_max      30.88
_cell_measurement_theta_min      2.51
_cell_volume                     793.1(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      260(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0572
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_number            4977
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.901
_diffrn_reflns_theta_min         2.505
_exptl_absorpt_coefficient_mu    1.557
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.034
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_refine_diff_density_max         1.834
_refine_diff_density_min         -1.363
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         4977
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0272P)^2^+3.1609P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1095
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3916
_reflns_number_total             4977
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc05592f2.cif
_cod_data_source_block           Cd-TzBDP
_cod_depositor_comments          'Adding full bibliography for 1572622.cif.'
_cod_database_code               1572622
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              10672
_shelx_hkl_checksum              50502