Interlinking supertetrahedral chalcogenolate clusters with bipyridines to form two-dimensional coordination polymers for photocatalytic degradation of organic dye.
Xu, Chao; Sheng, Ming-Ming; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Dalton transactions (Cambridge, England : 2003) 48 (2019) 5505–5510; doi:10.1039/c9dt00480g

data_7049528
_publ_section_title
;
 Interlinking supertetrahedral chalcogenolate clusters with bipyridines to
 form two-dimensional coordination polymers for photocatalytic degradation
 of organic dye.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5505
_journal_page_last               5510
_journal_paper_doi               10.1039/c9dt00480g
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C106 H105 Ag4 Cd6 N3 O4 Se16, C6 H14 N2 O2, C1 H4 O1'
_chemical_formula_sum            'C113 H123 Ag4 Cd6 N5 O7 Se16'
_chemical_formula_weight         4032.40
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-03-20 deposited with the CCDC.    2019-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                67.211(6)
_cell_angle_beta                 86.452(6)
_cell_angle_gamma                68.354(5)
_cell_formula_units_Z            2
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_cell_length_b                   20.1673(17)
_cell_length_c                   21.5676(19)
_cell_measurement_reflns_used    4303
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.98
_cell_measurement_theta_min      0.96
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_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2032
_diffrn_reflns_av_unetI/netI     0.2518
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            77330
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.660
_exptl_absorpt_coefficient_mu    5.851
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_correction_T_min  0.255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction. 
The Ratio of minimum to maximum transmission is 0.348.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.983
_exptl_crystal_description       flake
_exptl_crystal_F_000             3824
_exptl_crystal_size_max          0.322
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_exptl_crystal_size_min          0.057
_refine_diff_density_max         2.504
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1281
_refine_ls_number_reflns         23759
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_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.2560
_refine_ls_R_factor_gt           0.0849
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1838
_refine_ls_wR_factor_ref         0.2152
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7574
_reflns_number_total             23759
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00480g2.cif
_cod_data_source_block           P-1_Se
_cod_depositor_comments
'Adding full bibliography for 7049526--7049529.cif.'
_cod_original_cell_volume        6753.8(10)
_cod_database_code               7049528
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.255
_shelx_estimated_absorpt_t_max   0.732
_shelx_res_checksum              62826
_shelx_fab_checksum              2873