Novel organically linked Zn<sup>II</sup> hydrogenselenite coordination polymers: synthesis, characterization, and efficient TiO<sub>2</sub> photosensitization for enhanced photocatalytic hydrogen production.
Lunardi, Andressa; Bortolotto, Tanize; Nunes Cechin, Camila; Daudt, Natália de Freitas; Mello, Melina de Azevedo; Dos Santos, Sailer S.; Cargnelutti, Roberta; Lang, Ernesto Schulz; Tirloni, Bárbara; Dalton transactions (Cambridge, England : 2003)  (2023) –; doi:10.1039/d3dt03094f

data_7714370
_publ_section_title
;
 Novel organically linked Zn<sup>II</sup> hydrogenselenite coordination
 polymers: synthesis, characterization, and efficient TiO<sub>2</sub>
 photosensitization for enhanced photocatalytic hydrogen production.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d3dt03094f
_journal_year                    2023
_chemical_formula_moiety         'C24 H20 N4 O12 Se4 Zn2'
_chemical_formula_sum            'C24 H20 N4 O12 Se4 Zn2'
_chemical_formula_weight         1003.02
_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
;
2023-01-23 deposited with the CCDC.	2023-10-28 downloaded from the CCDC.
;
_cell_angle_alpha                71.238(3)
_cell_angle_beta                 88.646(3)
_cell_angle_gamma                87.737(3)
_cell_formula_units_Z            1
_cell_length_a                   7.4196(6)
_cell_length_b                   9.7542(9)
_cell_length_c                   11.1087(10)
_cell_measurement_reflns_used    8763
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      28.91
_cell_measurement_theta_min      2.42
_cell_volume                     760.60(12)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX3 v2015.5-2 (Bruker AXS Inc., 2015)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'Diamond (version 4.6i)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100 diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0673
_diffrn_reflns_av_unetI/netI     0.0710
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            23456
_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         30.571
_diffrn_reflns_theta_min         2.206
_diffrn_source                   'microfocus X ray tube'
_exptl_absorpt_coefficient_mu    6.431
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; SADABS (version 2014/5; Bruker, 2014) was used to perform the
multi-scan absorption correction.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.190
_exptl_crystal_description       block
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.048
_exptl_crystal_size_min          0.045
_refine_diff_density_max         1.340
_refine_diff_density_min         -0.737
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     210
_refine_ls_number_reflns         4648
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.1021
_refine_ls_R_factor_gt           0.0556
_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^)+(0.0607P)^2^+4.1696P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1402
_refine_ls_wR_factor_ref         0.1556
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3071
_reflns_number_total             4648
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03094f2.cif
_cod_data_source_block           BTAL257_S_0m_a
_cod_database_code               7714370
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.466
_shelx_estimated_absorpt_t_max   0.761
_shelx_res_checksum              3839