A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and Its Use in Transmetalation: Structure and Catalytic Activity for Olefin Polymerization†
Wang, Xin; Liu, Shuang; Weng, Lin-Hong; Jin, Guo-Xin; Organometallics 25 (2006) 3565–; doi:10.1021/om060309c

data_4075473
_publ_section_title
;
 A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and
 Its Use in Transmetalation:&#x00A0; Structure and Catalytic Activity for
 Olefin Polymerization&#x2020;
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3565
_journal_paper_doi               10.1021/om060309c
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C10 H11 Cl2 N3 Pd'
_chemical_formula_weight         350.52
_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                104.258(4)
_cell_angle_beta                 98.156(5)
_cell_angle_gamma                98.661(4)
_cell_formula_units_Z            2
_cell_length_a                   8.4682(18)
_cell_length_b                   8.5914(18)
_cell_length_c                   9.122(2)
_cell_measurement_temperature    293(2)
_cell_volume                     624.7(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.626
_diffrn_measured_fraction_theta_max 0.626
_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  0.0064
_diffrn_reflns_av_sigmaI/netI    0.0498
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -2
_diffrn_reflns_number            1409
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.48
_exptl_absorpt_coefficient_mu    1.888
_exptl_absorpt_correction_T_max  0.9115
_exptl_absorpt_correction_T_min  0.6497
_exptl_crystal_density_diffrn    1.864
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             344
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1376
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0468
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0849
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                1146
_reflns_number_total             1376
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060309csi20060406_041759.cif
_cod_data_source_block           f50826a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4075473