Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)
Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning; Organometallics 25 (2006) 4941–; doi:10.1021/om0607346

data_4074532
_publ_section_title
;
 Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of
 Ferrocenylethynyl Prepared by Reaction of (AgC&#x22EE;CFc)nwith
 [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4941
_journal_paper_doi               10.1021/om0607346
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C145 H127 Ag8 Cl3 Cu6 Fe12 O9'
_chemical_formula_weight         4034.22
_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                87.950(11)
_cell_angle_beta                 75.424(10)
_cell_angle_gamma                74.763(7)
_cell_formula_units_Z            2
_cell_length_a                   16.261(5)
_cell_length_b                   18.153(7)
_cell_length_c                   27.627(9)
_cell_measurement_reflns_used    15184
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0264
_cell_measurement_theta_min      1.3657
_cell_volume                     7611(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'RIGAKU MERCURY CCD'
_diffrn_measurement_method       '\w 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  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0803
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            46142
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    3.025
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6226
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3964
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_refine_diff_density_max         2.007
_refine_diff_density_min         -1.348
_refine_diff_density_rms         0.322
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1647
_refine_ls_number_reflns         26422
_refine_ls_number_restraints     209
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.1388
_refine_ls_R_factor_gt           0.0867
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1527P)^2^+15.7316P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2629
_refine_ls_wR_factor_ref         0.3029
_reflns_number_gt                15304
_reflns_number_total             26422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0607346si20060813_054054.cif
_cod_data_source_block           compound_2
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_sg_symbol_H-M      P-1
_cod_database_code               4074532