Use of [SbF6]−to Isolate Cationic Copper and Silver Adducts with More than One Ethylene on the Metal Center
Fianchini, Mauro; Campana, Charles F.; Chilukuri, Bhaskar; Cundari, Thomas R.; Petricek, Vaclav; Dias, H. V. Rasika; Organometallics 32 (2013) 3034–; doi:10.1021/om4002439

data_4080845
_publ_section_title
;
 Use of [SbF6]&#x2212;to Isolate Cationic Copper and Silver Adducts with
 More than One Ethylene on the Metal Center
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              3034
_journal_paper_doi               10.1021/om4002439
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         '2(C12 H24 Cl Cu3), C6 H12 Cu, 5(F6 Sb)'
_chemical_formula_sum            'C30 H60 Cl2 Cu7 F30 Sb5'
_chemical_formula_weight         2115.21
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2013-05-02
_audit_creation_method
; 
  Olex2 1.2 
  (compiled Apr 23 2013 17:59:47, GUI svn.r4466) 
;
_cell_angle_alpha                101.544(2)
_cell_angle_beta                 96.973(2)
_cell_angle_gamma                93.283(2)
_cell_formula_units_Z            2
_cell_length_a                   8.5814(4)
_cell_length_b                   18.1377(9)
_cell_length_c                   20.3187(10)
_cell_measurement_reflns_used    1434
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.75
_cell_volume                     3064.8(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
; 
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, 
OLEX2: a complete structure solution, refinement and analysis program. 
J. Appl. Cryst. (2009). 42, 339-341. 
;
_computing_publication_material
; 
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, 
OLEX2: a complete structure solution, refinement and analysis program. 
J. Appl. Cryst. (2009). 42, 339-341. 
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0606
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            31462
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         1.698
_exptl_absorpt_coefficient_mu    4.740
_exptl_absorpt_correction_T_max  0.745686
_exptl_absorpt_correction_T_min  0.603031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS 2012/2'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    2.292
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2004
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.160
_refine_diff_density_max         5.072
_refine_diff_density_min         -3.065
_refine_diff_density_rms         0.613
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     689
_refine_ls_number_reflns         31462
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0675
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0757P)^2^+40.1382P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2014
_refine_ls_wR_factor_ref         0.2184
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21448
_reflns_number_total             31462
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om4002439_si_002.cif
_cod_data_source_block           dias505
_cod_database_code               4080845
_shelx_estimated_absorpt_t_max   0.518
_shelx_estimated_absorpt_t_min   0.491
_shelx_hkl_checksum              30375
_shelxl_version_number           2013-3