Bis{2-[(2-hydroxyethyl)iminomethyl]phenolato}gold(III) tetrachloroaurate(III)
Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Acta Crystallographica Section E 63 (2007) m402–m404; doi:10.1107/S1600536806055358

data_2212217
_publ_section_title
;
 Bis{2-[(2-hydroxyethyl)iminomethyl]phenolato}gold(III)
 tetrachloroaurate(III)
;
_journal_coeditor_code           HG2161
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m402
_journal_page_last               m404
_journal_paper_doi               10.1107/S1600536806055358
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Au (C9 H10 N O2)2] [Au Cl4]'
_chemical_formula_moiety         'C18 H20 Au N2 O4 +, Au Cl4 -'
_chemical_formula_sum            'C18 H20 Au2 Cl4 N2 O4'
_chemical_formula_weight         864.10
_chemical_name_systematic
;
Bis{2-[(2-hydroxyethyl)iminomethyl]phenolato}gold(III) tetrachloroaurate(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.490(2)
_cell_angle_beta                 104.690(2)
_cell_angle_gamma                107.429(2)
_cell_formula_units_Z            1
_cell_length_a                   8.2088(3)
_cell_length_b                   8.7386(3)
_cell_length_c                   8.9678(3)
_cell_measurement_reflns_used    120
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      41.107
_cell_measurement_theta_min      0.174
_cell_volume                     542.05(4)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART 6000'
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_monochromator  'crossed Goebel mirrors'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8454
_diffrn_reflns_theta_full        71.47
_diffrn_reflns_theta_max         71.47
_diffrn_reflns_theta_min         5.59
_diffrn_standards_decay_%        na
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         na
_exptl_absorpt_coefficient_mu    29.878
_exptl_absorpt_correction_T_max  0.4161
_exptl_absorpt_correction_T_min  0.0251
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE; Stoe & Cie, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             400
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.743
_refine_diff_density_min         -3.685
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     140
_refine_ls_number_reflns         2065
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1334P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1667
_refine_ls_wR_factor_ref         0.1711
_reflns_number_gt                1806
_reflns_number_total             2065
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2161.cif
_cod_data_source_block           I
_cod_database_code               2212217
_cod_database_fobs_code          2212217