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_7049390
_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, C H2 Cl2'
_chemical_formula_sum            'C28 H13 Ag Au Cl2 F10 N3'
_chemical_formula_weight         957.15
_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             2019-01-15T12:57:28-00:00
_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                80.139(3)
_cell_angle_beta                 86.040(2)
_cell_angle_gamma                70.855(3)
_cell_formula_units_Z            2
_cell_length_a                   10.8130(6)
_cell_length_b                   10.9768(4)
_cell_length_c                   12.9560(8)
_cell_measurement_reflns_used    5294
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.487
_cell_measurement_theta_min      2.615
_cell_measurement_wavelength     0.71073
_cell_volume                     1431.12(13)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_UB_11      -0.012536
_diffrn_orient_matrix_UB_12      0.033848
_diffrn_orient_matrix_UB_13      -0.076576
_diffrn_orient_matrix_UB_21      -0.097098
_diffrn_orient_matrix_UB_22      0.027718
_diffrn_orient_matrix_UB_23      0.011039
_diffrn_orient_matrix_UB_31      0.000462
_diffrn_orient_matrix_UB_32      0.087309
_diffrn_orient_matrix_UB_33      0.012364
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.083
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.99
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11028
_diffrn_reflns_point_group_measured_fraction_full 0.99
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_reduction_process
;
        Scaled and merged with Sortav
        R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
        R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.487
_diffrn_reflns_theta_min         2.615
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.082
_exptl_absorpt_correction_T_max  0.0902
_exptl_absorpt_correction_T_min  0.0512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.75
_refine_diff_density_min         -2.037
_refine_diff_density_rms         0.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6407
_refine_ls_number_restraints     106
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.045
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0637P)^2^+1.1115P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.095
_reflns_Friedel_coverage         0
_reflns_number_gt                5590
_reflns_number_total             6407
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00751b2.cif
_cod_data_source_block           2bCH2Cl2
_cod_depositor_comments
'Adding full bibliography for 7049390--7049391.cif.'
_cod_database_code               7049390