Aggregation of Au(i)-complexes on amorphous substrates governed by aurophilicity.
Gründlinger, Petra; Györök, Michael; Wolfmayr, Sebastian; Breuer, Tobias; Primetzhofer, Daniel; Bruckner, Barbara; Monkowius, Uwe; Wagner, Thorsten; Dalton transactions (Cambridge, England : 2003) 48 (2019) 14712–14723; doi:10.1039/c9dt03049b

data_7701084
_publ_section_title
;
 Aggregation of Au(i)-complexes on amorphous substrates governed by
 aurophilicity.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14712
_journal_page_last               14723
_journal_paper_doi               10.1039/c9dt03049b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C11 H7 Au Br N'
_chemical_formula_sum            'C11 H7 Au Br N'
_chemical_formula_weight         430.05
_chemical_name_common            NapNCAuBr
_chemical_name_systematic        '2-naphthylisonitrile bromido gold(I)'
_chemical_properties_physical    Heat-sensitive,Light-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2019-03-22 deposited with the CCDC.    2019-09-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.66(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   38.18(5)
_cell_length_b                   4.131(5)
_cell_length_c                   13.354(12)
_cell_measurement_reflns_used    4403
_cell_measurement_temperature    293.(2)
_cell_measurement_theta_max      23.2736
_cell_measurement_theta_min      3.1427
_cell_volume                     2092(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293.(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Quest D8 ECO'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2175
_diffrn_reflns_av_sigmaI/netI    0.0987
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11790
_diffrn_reflns_theta_full        23.30
_diffrn_reflns_theta_max         23.30
_diffrn_reflns_theta_min         3.07
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    17.839
_exptl_absorpt_correction_T_max  0.72
_exptl_absorpt_correction_T_min  0.08
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
;
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    2.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platlet
_exptl_crystal_F_000             1552
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.020
_refine_diff_density_max         3.733
_refine_diff_density_min         -3.441
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1512
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0724
_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^)+(0.1354P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1787
_refine_ls_wR_factor_ref         0.1815
_reflns_number_gt                1302
_reflns_number_total             1512
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt03049b2.cif
_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 7701084--7701085.cif.'
_cod_original_cell_volume        2092.(4)
_cod_database_code               7701084