μ-Azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-μ-chlorido-bis[(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II)] chloroform monosolvate
Mafud, Ana C.; Oliviera, Milene A. R.; Gambardella, Maria T. P.; Acta Crystallographica Section E 69 (2013) m15–; doi:10.1107/S1600536812047927

data_2237227
_publ_section_title
;
 \m-Azido-\k^2^<i>N</i>^1^:<i>N</i>^1^-\m-chlorido-bis[(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-\k^2^<i>C</i>^1^,<i>N</i>)palladium(II)]
 chloroform monosolvate
;
_journal_coeditor_code           SU2528
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m15
_journal_paper_doi               10.1107/S1600536812047927
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Pd2  (C11 H13 Cl N)2 Cl (N3)], C H Cl3'
_chemical_formula_moiety         'C22 H26 Cl3 N5 Pd2, C H Cl3'
_chemical_formula_sum            'C23 H27 Cl6 N5 Pd2'
_chemical_formula_weight         799
_chemical_name_systematic
;
\m-Azido-\k^2^<i>N</i>^1^:<i>N</i>^1^-\m-chlorido-bis[(2-chloro-3-
dimethylamino-1-phenylprop-1-en-1-yl-\k^2^<i>C</i>^1^,<i>N</i>)palladium(II)]
chloroform monosolvate
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 97.14(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.416(3)
_cell_length_b                   11.474(3)
_cell_length_c                   17.094(4)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      10.8
_cell_measurement_theta_min      3.5
_cell_volume                     3000.2(12)
_computing_cell_refinement       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enraf--Nonius TurboCAD4'
_diffrn_measurement_method       'non-profiled omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0656
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            7536
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         2.89
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.756
_exptl_absorpt_correction_T_max  0.8317
_exptl_absorpt_correction_T_min  0.6911
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.748
_refine_diff_density_min         -0.595
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         7278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.2376
_refine_ls_R_factor_gt           0.0634
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0614P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1697
_reflns_number_gt                2686
_reflns_number_total             7278
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            su2528.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2237227
_cod_database_fobs_code          2237227