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_4073249
_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            'C26 H32 Au2 F12 N8 O2 P2'
_chemical_formula_weight         1172.47
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.271(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.288(2)
_cell_length_b                   24.503(3)
_cell_length_c                   20.007(2)
_cell_measurement_reflns_used    1583
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.665
_cell_measurement_theta_min      2.514
_cell_volume                     4020.8(12)
_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 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.2266
_diffrn_reflns_av_sigmaI/netI    0.2427
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17126
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    7.459
_exptl_absorpt_correction_T_max  0.4681
_exptl_absorpt_correction_T_min  0.0983
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.937
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.769
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         6987
_refine_ls_number_restraints     834
_refine_ls_restrained_S_all      0.930
_refine_ls_R_factor_all          0.1461
_refine_ls_R_factor_gt           0.0945
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1031P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2238
_refine_ls_wR_factor_ref         0.2426
_reflns_number_gt                3290
_reflns_number_total             6987
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0701928-file001.cif
_cod_data_source_block           061221e
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        4021.1(12)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4073249