Preparation, Structure, and Reactions of Trifluoroacetimidoyl Palladium(II) Complexes
Amii, Hideki; Kageyama, Katsuhiko; Kishikawa, Yosuke; Hosokawa, Tsuyoshi; Morioka, Ryo; Katagiri, Toshimasa; Uneyama, Kenji; Organometallics 31 (2012) 1281–; doi:10.1021/om201021b

data_4068032
_publ_contact_author
;
    ENTER NAME
 ENTER ADDRESS
;
_publ_section_title
;
 Preparation, Structure, and Reactions of Trifluoroacetimidoyl
 Palladium(II) Complexes
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              1281
_journal_paper_doi               10.1021/om201021b
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C9 H7 F3 I N O Pd '
_chemical_formula_sum            'C9 H7 F3 I N O Pd'
_chemical_formula_weight         435.46
_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'
_audit_creation_date             'Mon May 16 20:48:14 2011'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 108.495(2)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   18.6641(6)
_cell_length_b                   14.0538(5)
_cell_length_c                   19.4447(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    288.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     4836.9(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      288.2
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device       'Rigaku RAXISII'
_diffrn_measurement_method       dtprofit.ref
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_sigmaI/netI    0.042
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5657
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_exptl_absorpt_coefficient_mu    4.105
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.392
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3232.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.19
_refine_diff_density_min         -2.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.218
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4736
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0516
_refine_ls_shift/esd_max         0.0090
_refine_ls_shift/esd_mean        0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0550
_reflns_number_observed          4736
_reflns_number_total             4736
_reflns_observed_criterion       >2.0sigma(I)
_cod_data_source_file            om201021b_si_002.cif
_cod_data_source_block           kishi
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c        '
_cod_original_formula_sum        'C9 H7 F3 I N O Pd '
_cod_database_code               4068032