Highly Sensitive Ammonium Tetraazidoaurates(III)
Klapötke, Thomas M.; Krumm, Burkhard; Galvez-Ruiz, Juan-Carlos; Nöth, Heinrich; Inorganic Chemistry 44 (2005) 9625–9627; doi:10.1021/ic051543i

data_4331777
_publ_section_title
;
 Highly Sensitive Ammonium Tetraazidoaurates(III)
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   26
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9625
_journal_page_last               9627
_journal_paper_doi               10.1021/ic051543i
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C4 H12 Au N13'
_chemical_formula_weight         439.23
_space_group_IT_number           2
_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                94.14(3)
_cell_angle_beta                 93.63(3)
_cell_angle_gamma                110.42(3)
_cell_formula_units_Z            4
_cell_length_a                   9.973(2)
_cell_length_b                   10.246(2)
_cell_length_c                   13.625(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1295.5(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.732
_diffrn_measured_fraction_theta_max 0.732
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6751
_diffrn_reflns_theta_full        29.13
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    11.364
_exptl_crystal_density_diffrn    2.252
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_refine_diff_density_max         2.582
_refine_diff_density_min         -2.929
_refine_diff_density_rms         0.221
_refine_ls_extinction_coef       0.0007(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5103
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0444
_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^)+(0.0822P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1116
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                3569
_reflns_number_total             5103
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4310261
_cod_data_source_file            ic051543isup1.cif
_cod_data_source_block           auabs
_cod_original_cell_volume        1295.7(4)
_cod_database_code               4331777