Temperature-assisted formation of reversible metallophilic Au-Ag interaction arrays.
Gil-Moles, María; Gimeno, M Concepción; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Dalton transactions (Cambridge, England : 2003) 48 (2019) 5149–5155; doi:10.1039/c9dt00751b

data_7049391
_publ_section_title
;
 Temperature-assisted formation of reversible metallophilic Au-Ag
 interaction arrays.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5149
_journal_page_last               5155
_journal_paper_doi               10.1039/c9dt00751b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C27 H11 Ag Au F10 N3, C4 H8 O'
_chemical_formula_sum            'C31 H19 Ag Au F10 N3 O'
_chemical_formula_weight         944.33
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2019-01-25T11:20:54-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2019-03-18 deposited with the CCDC.    2019-03-21 downloaded from the CCDC.
;
_cell_angle_alpha                67.052(3)
_cell_angle_beta                 82.846(4)
_cell_angle_gamma                71.245(3)
_cell_formula_units_Z            2
_cell_length_a                   10.8374(12)
_cell_length_b                   10.9982(10)
_cell_length_c                   14.0950(15)
_cell_measurement_reflns_used    3651
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      25.682
_cell_measurement_theta_min      3.061
_cell_measurement_wavelength     0.71073
_cell_volume                     1464.9(3)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.758
_diffrn_measured_fraction_theta_max 0.782
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.049
_diffrn_reflns_Laue_measured_fraction_full 0.758
_diffrn_reflns_Laue_measured_fraction_max 0.782
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23929
_diffrn_reflns_point_group_measured_fraction_full 0.758
_diffrn_reflns_point_group_measured_fraction_max 0.782
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.988
_diffrn_reflns_theta_min         3.061
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.766
_exptl_absorpt_correction_T_max  0.841
_exptl_absorpt_correction_T_min  0.763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.141
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.358
_exptl_crystal_size_mid          0.039
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.7
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     666
_refine_ls_number_reflns         5527
_refine_ls_number_restraints     306
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.045
_refine_ls_R_factor_gt           0.0273
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0187P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0543
_reflns_Friedel_coverage         0
_reflns_number_gt                4443
_reflns_number_total             5527
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00751b2.cif
_cod_data_source_block           2bTHF
_cod_depositor_comments
'Adding full bibliography for 7049390--7049391.cif.'
_cod_database_code               7049391
_shelx_estimated_absorpt_t_min   0.232
_shelx_estimated_absorpt_t_max   0.846