N-Alkoxyimidazolylidene Transition-Metal Complexes: Application to [5+2] and [4+2] Cycloaddition Reactions
Gómez, Fernando J.; Kamber, Nahrain E.; Deschamps, Nicole M.; Cole, Adam P.; Wender, Paul A.; Waymouth, Robert M.; Organometallics 26 (2007) 4541–; doi:10.1021/om700493y

data_4073606
_publ_section_title
;
 N-Alkoxyimidazolylidene Transition-Metal Complexes:&#x00A0; Application
 to [5+2] and [4+2] Cycloaddition Reactions
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4541
_journal_paper_doi               10.1021/om700493y
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C38 H40 Br2 N4 O2 Pd '
_chemical_formula_sum            'C38 H40 Br2 N4 O2 Pd'
_chemical_formula_weight         850.97
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000(4)
_cell_angle_beta                 99.529(1)
_cell_angle_gamma                90.000(1)
_cell_formula_units_Z            4
_cell_length_a                   16.0366(6)
_cell_length_b                   11.7983(5)
_cell_length_c                   19.4395(7)
_cell_measurement_reflns_used    4950
_cell_measurement_temperature    153
_cell_measurement_theta_max      24.67
_cell_measurement_theta_min      2
_cell_volume                     3627.3(2)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_measured_fraction_theta_full 0.9707
_diffrn_measured_fraction_theta_max 0.9707
_diffrn_measurement_device_type  'Bruker Siemens SMART CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8090
_diffrn_reflns_theta_full        24.67
_diffrn_reflns_theta_max         24.67
_exptl_absorpt_coefficient_mu    2.760
_exptl_absorpt_correction_T_max  0.82
_exptl_absorpt_correction_T_min  0.59
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS, G. M. Sheldrick (1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhombic
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.59
_refine_diff_density_min         -1.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     233
_refine_ls_number_reflns         2985
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                2632
_reflns_number_total             3143
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om700493y-file002.cif
_cod_data_source_block           '_shelxl'
_cod_original_formula_sum        'C38 H40 Br2 N4 O2 Pd '
_cod_database_code               4073606