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_4080846
_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         '[(C2H4)3Ag][SbF6]'
_chemical_formula_sum            'C6 H12 Ag F6 Sb'
_chemical_formula_weight         427.78
_chemical_name_common            '[(C2H4)3Ag][SbF6]'
_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                 95.204(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.2940(7)
_cell_length_b                   11.975(1)
_cell_length_c                   11.995(1)
_cell_measurement_reflns_used    4291
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.94
_cell_measurement_theta_min      2.41
_cell_volume                     1186.44(17)
_computing_cell_refinement       'Bruker SAINT (2012)'
_computing_data_collection       'Bruker SMART (2008)'
_computing_data_reduction        'Bruker SAINT (2012)'
_computing_molecular_graphics    'Bruker APEX2 (2012)'
_computing_publication_material  'Bruker APEX2 (2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \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  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7860
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    3.967
_exptl_absorpt_correction_T_max  0.9614
_exptl_absorpt_correction_T_min  0.3925
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.949
_refine_diff_density_min         -1.305
_refine_diff_density_rms         0.263
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         2452
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0529
_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^)+(0.1011P)^2^+5.1011P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1399
_refine_ls_wR_factor_ref         0.1548
_reflns_number_gt                2017
_reflns_number_total             2452
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4002439_si_002.cif
_cod_data_source_block           dias504m_0m
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4080846