Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.
Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel; Dalton transactions (Cambridge, England : 2003) 49 (2020) 13737–13743; doi:10.1039/d0dt02931a

data_7705500
_publ_section_title
;
 Conducting neutral gold bisdithiolene complex
 [Au(dspdt)<sub>2</sub>]&#x02D9;.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13737
_journal_page_last               13743
_journal_paper_doi               10.1039/d0dt02931a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C5 H4 S3 Se'
_chemical_formula_sum            'C5 H4 S3 Se'
_chemical_formula_weight         239.22
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-13 deposited with the CCDC.	2020-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.02
_cell_measurement_theta_min      2.41
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Mercury Macrae et al,2008)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0407
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_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_limit_k_max       12
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_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.137
_exptl_crystal_description       needle
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     82
_refine_ls_number_reflns         1354
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0184
_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^)+(0.0179P)^2^+0.4137P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0458
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1242
_reflns_number_total             1354
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02931a2.cif
_cod_data_source_block           MV18
_cod_depositor_comments
'Adding full bibliography for 7705500--7705502.cif.'
_cod_original_cell_volume        1487.34(7)
_cod_database_code               7705500
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.236
_shelx_estimated_absorpt_t_max   0.723
_shelx_res_checksum              37866