Weak aurophilic interactions in a series of Au(iii) double salts.
Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti; Dalton transactions (Cambridge, England : 2003) 44 (2015) 14523–14531; doi:10.1039/c4dt03167a

data_7035791
_publ_section_title
;
 Weak aurophilic interactions in a series of Au(iii) double salts.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14523
_journal_page_last               14531
_journal_paper_doi               10.1039/c4dt03167a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C10 H9 Au Cl2 N3, Au Cl4, C2 H3 N'
_chemical_formula_sum            'C12 H12 Au2 Cl6 N4'
_chemical_formula_weight         818.89
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-10-14 deposited with the CCDC.
2015-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.0760(10)
_cell_angle_gamma                90
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_cell_length_c                   15.0452(3)
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_cell_measurement_temperature    120(2)
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_cell_measurement_theta_min      1.00
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_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor, 1997)'
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'CrystaMaker (CrystalMaker Software ltd., 2011)'
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_computing_structure_solution    'SUPERFLIP (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0231
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_diffrn_reflns_laue_measured_fraction_full 0.994
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;
SADABS-2012/1 (Bruker, 2012)
Additional spherical absorption correction applied with mu*r =  0.0000
 Lambda/2 correction factor = 0.0015 
;
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0124P)^2^+6.7476P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0436
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_reflns_number_gt                4332
_reflns_number_total             4481
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7035778--7035794.cif.'
_cod_database_code               7035791
_shelx_estimated_absorpt_t_min   0.081
_shelx_estimated_absorpt_t_max   0.200
_shelxl_version_number           2014-3
_shelx_res_checksum              82319