3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.
Döring, Cindy; Sui, Zhihong; Jones, Peter G.; Acta crystallographica. Section C, Structural chemistry 74 (2018) 289–294; doi:10.1107/S2053229618002218

data_2311987
_publ_section_title
;
 3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of
 [(3,4-lut)<sub>2</sub>H]<sup>+</sup>&#x00B7;[AuI<sub>2</sub>]<sup>-</sup>
 and of two polymorphs of
 [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>&#x00B7;[AuI<sub>2</sub>]<sup>-</sup>&#x00B7;I<sup/>.
;
_journal_coeditor_code           KY3135
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              289
_journal_page_last               294
_journal_paper_doi               10.1107/S2053229618002218
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '[Au (C5 H5 N)2] [Au I2]'
_chemical_formula_moiety         'C10 H10 N2 Au 1+, Au I2 1-'
_chemical_formula_sum            'C10 H10 Au2 I2 N2'
_chemical_formula_weight         805.93
_chemical_name_systematic
;
Dipyridinegold(I) diiodidoaurate(I)
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1692(3)
_cell_length_b                   14.2434(6)
_cell_length_c                   14.7445(6)
_cell_measurement_reflns_used    6515
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.4620
_cell_measurement_theta_min      2.8620
_cell_volume                     1505.62(11)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
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;
CrysAlis PRO (Rigaku OD, 2015)
;
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;
XP (Siemens, 1994)
;
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;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1419
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Eos'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22617
_diffrn_reflns_theta_full        30.000
_diffrn_reflns_theta_max         31.066
_diffrn_reflns_theta_min         2.763
_exptl_absorpt_coefficient_mu    23.544
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.20399
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    3.555
_exptl_crystal_description       lath
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.253
_refine_diff_density_min         -1.949
_refine_ls_extinction_coef       0.00029(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     80
_refine_ls_number_reflns         2339
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0251
_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^)+(0.0230P)^2^+2.7451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0555
_reflns_number_gt                2081
_reflns_number_total             2339
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ky3135sup1.cif
_cod_data_source_block           3
_cod_original_cell_volume        1505.61(10)
_cod_database_code               2311987
_shelx_estimated_absorpt_t_min   0.058
_shelx_estimated_absorpt_t_max   0.453
_shelx_hkl_checksum              67001
_shelx_res_checksum              98965