Synthesis, Characterization and Electron Beam Assisted Decomposition of (NO2)[Au(NO3)4]
Wickleder, Mathias S.; Büchner, Oliver; Gerlach, Frauke; Necke, Mandus; Al-Shamery, Katharina; Wich, Thomas; Luttermann, Tim; Chemistry of Materials 20 (2008) 5181–; doi:10.1021/cm800066r

data_4001165
_publ_section_title
;
 Synthesis, Characterization and Electron Beam Assisted Decomposition of
 (NO2)[Au(NO3)4]
;
_journal_issue                   16
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5181
_journal_paper_doi               10.1021/cm800066r
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'Au N5 O14'
_chemical_formula_weight         491.02
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.751(2)
_cell_length_b                   8.1021(15)
_cell_length_c                   8.987(2)
_cell_measurement_temperature    293(2)
_cell_volume                     520.8(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1224
_diffrn_reflns_av_sigmaI/netI    0.1407
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4416
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    14.231
_exptl_crystal_density_diffrn    3.131
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             452
_refine_diff_density_max         1.127
_refine_diff_density_min         -1.640
_refine_diff_density_rms         0.266
_refine_ls_extinction_coef       0.0010(4)
_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   0.805
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     95
_refine_ls_number_reflns         1137
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.805
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0337
_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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0622
_reflns_number_gt                617
_reflns_number_total             1137
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm800066r-file002.cif
_cod_data_source_block           (NO2)[Au(NO3)4]
_cod_database_code               4001165