Synthesis, Structural Characterization, and Luminescence of New Silver Aggregates Containing Short Ag−Ag Contacts Stabilized by Functionalized Bis(N-heterocyclic carbene) Ligands
Liu, Bin; Chen, Wanzhi; Jin, Shouwen; Organometallics 26 (2007) 3660–; doi:10.1021/om0701928

data_4073247
_publ_section_title
;
 Synthesis, Structural Characterization, and Luminescence of New Silver
 Aggregates Containing Short Ag&#x2212;Ag Contacts Stabilized by
 Functionalized Bis(N-heterocyclic carbene) Ligands
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3660
_journal_paper_doi               10.1021/om0701928
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C38 H40 Ag4 F24 N12 O2 P4'
_chemical_formula_weight         1708.18
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                102.25(3)
_cell_angle_beta                 99.82(3)
_cell_angle_gamma                108.88(3)
_cell_formula_units_Z            1
_cell_length_a                   11.61(2)
_cell_length_b                   12.02(3)
_cell_length_c                   15.74(3)
_cell_measurement_reflns_used    1070
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      18.777
_cell_measurement_theta_min      2.504
_cell_volume                     1962(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.863
_diffrn_measured_fraction_theta_max 0.863
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.2461
_diffrn_reflns_av_sigmaI/netI    0.8643
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8225
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_correction_T_min  0.6945
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.892
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_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.851
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5966
_refine_ls_number_restraints     951
_refine_ls_restrained_S_all      0.798
_refine_ls_R_factor_all          0.3868
_refine_ls_R_factor_gt           0.0928
_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          0.1585
_refine_ls_wR_factor_ref         0.3014
_reflns_number_gt                1228
_reflns_number_total             5966
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0701928-file001.cif
_cod_data_source_block           060730b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1961(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4073247