Bis(2-pyridyl)ditellane as a precursor to CoII, CuI and CuII complex formation: structural characterization and photocatalytic studies
da Silva, Felipe Dornelles; Bortolotto, Tanize; Tirloni, Bárbara; Daudt, Natália de Freitas; Lang, Ernesto Schulz; Cargnelutti, Roberta; New Journal of Chemistry 46 (2022) 18165–18172; doi:10.1039/D2NJ02761E

data_7061873
_publ_section_title
;
 Bis(2-pyridyl)ditellane as a precursor to CoII, CuI and CuII complex
 formation: structural characterization and photocatalytic studies
;
_journal_issue                   38
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18165
_journal_page_last               18172
_journal_paper_doi               10.1039/D2NJ02761E
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C20 H16 Br2 Cu2 N4 Te4'
_chemical_formula_sum            'C20 H16 Br2 Cu2 N4 Te4'
_chemical_formula_weight         1109.67
_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
;
2022-07-28 deposited with the CCDC.	2022-08-24 downloaded from the CCDC.
;
_cell_angle_alpha                99.9150(10)
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_cell_angle_gamma                108.9570(10)
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_cell_measurement_theta_max      30.36
_cell_measurement_theta_min      2.35
_cell_volume                     1344.97(9)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'APEX3 v2017.3-0 (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2016)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 833)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0297
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            36615
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.596
_diffrn_reflns_theta_min         2.210
_exptl_absorpt_coefficient_mu    8.821
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;   
SADABS-2016/2 (Bruker,2016/2) was used for the multi-scan absorption correction.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.740
_exptl_crystal_description       Block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.274
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.094
_refine_diff_density_max         1.046
_refine_diff_density_min         -1.216
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       0.00142(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         8276
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0303
_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^)+(0.0308P)^2^+2.0306P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0749
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6488
_reflns_number_total             8276
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj02761e2.cif
_cod_data_source_block           Compound_3
_cod_depositor_comments
'Adding full bibliography for 7061871--7061874.cif.'
_cod_database_code               7061873
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.196
_shelx_estimated_absorpt_t_max   0.491
_shelx_res_checksum              91703