Luminescent diphosphine fluorophenylthiolate silver(i) compounds that exhibit argentophilic interactions
Moreno-Alcántar, Guillermo; Nácar-Anaya, Antonio; Flores-Álamo, Marcos; Torrens, Hugo; New J. Chem. 40 (2016) 6577–; doi:10.1039/C6NJ00984K

data_7055668
_publ_section_title
;
 Luminescent diphosphine fluorophenylthiolate silver(i) compounds that
 exhibit argentophilic interactions
;
_journal_issue                   8
_journal_name_full               'New J. Chem.'
_journal_page_first              6577
_journal_paper_doi               10.1039/C6NJ00984K
_journal_volume                  40
_journal_year                    2016
_chemical_formula_moiety         'C72 H54 Ag2 F4 P4 S2'
_chemical_formula_sum            'C72 H54 Ag2 F4 P4 S2'
_chemical_formula_weight         1398.89
_space_group_IT_number           2
_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
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
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_audit_creation_date             2015-05-28T12:49:14-00:00
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;
2016-02-19 deposited with the CCDC.
2016-06-21 downloaded from the CCDC.
;
_cell_angle_alpha                73.771(6)
_cell_angle_beta                 78.567(5)
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_cell_formula_units_Z            2
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_cell_length_b                   13.9584(12)
_cell_length_c                   18.0610(11)
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_cell_measurement_temperature    130(2)
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_cell_volume                     2988.7(4)
_computing_cell_refinement
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
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        CrysAlisPro, Agilent Technologies,
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        (compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics
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          'Ortep-3 for Windows (Farrugia, 1997)'
      L. J. Farrugia, J. Appl. Crystallogr., 1997, 30, 565.
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_computing_publication_material
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        'WinGX publication routines (Farrugia, 1999)'                 
    L. J. Farrugia, J. Appl. Crystallogr., 1999, 32, 837-838.
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2008)'
_computing_structure_solution
;
      'SHELXS-2014 (Sheldrick, 2008)'
      G. M. Sheldrick, Acta Crystallogr., Sect. A: 
      Found. Crystallogr., 2008, 64, 112-122.
;
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 10.4685
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.866
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0466507
_diffrn_orient_matrix_UB_12      -0.0136275
_diffrn_orient_matrix_UB_13      0.0183643
_diffrn_orient_matrix_UB_21      0.0130138
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_diffrn_orient_matrix_UB_33      -0.036385
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0309
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_number            40130
_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.527
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_exptl_absorpt_coefficient_mu    0.889
_exptl_absorpt_correction_T_max  0.906
_exptl_absorpt_correction_T_min  0.801
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_description       block
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         14460
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0240P)^2^+2.2081P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.065
_refine_ls_wR_factor_ref         0.0723
_reflns_Friedel_coverage         0
_reflns_number_gt                11939
_reflns_number_total             14460
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6nj00984k2.cif
_cod_data_source_block           1B
_cod_depositor_comments
'Adding full bibliography for 7055667--7055670.cif.'
_cod_database_code               7055668
_shelx_estimated_absorpt_t_min   0.758
_shelx_estimated_absorpt_t_max   0.901
_shelx_res_checksum              30406