Synthesis and Properties of "Sandwich" Diimine-Coinage Metal Ethylene Complexes.
Klimovica, Kristine; Kirschbaum, Kristin; Daugulis, Olafs; Organometallics 35 (2016) 2938–2943; doi:10.1021/acs.organomet.6b00487

data_4088850
_publ_section_title
;
 Synthesis and Properties of &quot;Sandwich&quot; Diimine-Coinage Metal
 Ethylene Complexes.
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              2938
_journal_page_last               2943
_journal_paper_doi               10.1021/acs.organomet.6b00487
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C38 H28 Au Cl4 N2,  F6 Sb'
_chemical_formula_sum            'C38 H28 Au Cl4 F6 N2 Sb'
_chemical_formula_weight         1087.14
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 100.3306(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.6898(10)
_cell_length_b                   12.1398(7)
_cell_length_c                   17.9911(10)
_cell_measurement_temperature    140(2)
_cell_volume                     3801.0(4)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD detectorII'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         ' sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0479
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            58721
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.129
_diffrn_reflns_theta_min         1.487
_exptl_absorpt_coefficient_mu    4.908
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS;Sheldrick;Blessing,ActaC.1995,A51,33
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2088
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.025
_refine_diff_density_max         3.411
_refine_diff_density_min         -3.023
_refine_diff_density_rms         0.225
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         11177
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0598P)^2^+42.5152P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1274
_refine_ls_wR_factor_ref         0.1424
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8228
_reflns_number_total             11177
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om6b00487_si_002.cif
_cod_data_source_block           c
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4088850
_shelxl_version_number           2013-4