[η^2^-(<i>E</i>)-But-2-enedinitrile](<i>N</i>,<i>N</i>'-diphenyl-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine-<i>N</i>,<i>N</i>')palladium(0)
Ellis, Dianne D.; Spek, Anthony L.; Acta Crystallographica Section C 57 (2001) 235–236; doi:10.1107/S0108270100016401

data_2011807
_publ_section_title
'[\h^2^-(<i>E</i>)-But-2-enedinitrile](<i>N</i>,<i>N</i>'-diphenyl-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine-<i>N</i>,<i>N</i>')palladium(0)'
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              235
_journal_page_last               236
_journal_paper_doi               10.1107/S0108270100016401
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Pd(C22 H24 N2 )(C4 H2 N2 )]'
_chemical_formula_moiety         'C26 H26 N4 Pd'
_chemical_formula_sum            'C26 H26 N4 Pd'
_chemical_formula_weight         500.91
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 116.024(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8073(13)
_cell_length_b                   10.0751(12)
_cell_length_c                   21.453(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      13.8
_cell_measurement_theta_min      11.4
_cell_volume                     2293.3(5)
_computing_cell_refinement       'SET4 (de Boer & Duisenberg, 1984)'
_computing_data_collection
'Locally modified CAD4-Version 5 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'HELENA (Spek, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2000)'
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (Beurskens et al. 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .076
_diffrn_reflns_av_sigmaI/netI    .070
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7053
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.92
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .829
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          .55
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .25
_refine_diff_density_max         .827
_refine_diff_density_min         -1.457
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         5235
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.04
_refine_ls_R_factor_all          .051
_refine_ls_R_factor_gt           .042
_refine_ls_shift/su_max          <0.002
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0311P)^2^+2.2454P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .086
_reflns_number_gt                4462
_reflns_number_total             5235
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg1030.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011807
_cod_database_fobs_code          2011807