Di-μ-chlorido-bis{[2-(morpholinomethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}
Copolovici, Dana; Silvestru, Cristian; Isaia, Francesco; Varga, Richard A.; Acta Crystallographica Section E 64 (2008) m1057–m1058; doi:10.1107/S1600536808022575

data_2219041
_publ_section_title
Di-\m-chlorido-bis{[2-(morpholinomethyl)phenyl-\k^2^<i>C</i>^1^,<i>N</i>]palladium(II)}
_journal_coeditor_code           HK2489
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1057
_journal_page_last               m1058
_journal_paper_doi               10.1107/S1600536808022575
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Pd2 (C11 H14 N O)2 Cl2]'
_chemical_formula_moiety         'C22 H28 Cl2 N2 O2 Pd2'
_chemical_formula_sum            'C22 H28 Cl2 N2 O2 Pd2'
_chemical_formula_weight         636.20
_chemical_name_systematic
Di-\m-chlorido-bis{[2-(morpholinomethyl)phenyl-\k^2^C^1^,<i>N</i>]palladium(II)}
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.9570(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.1234(6)
_cell_length_b                   16.4437(13)
_cell_length_c                   8.8298(7)
_cell_measurement_reflns_used    4334
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      27.27
_cell_measurement_theta_min      2.48
_cell_volume                     1153.88(15)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2006)'
_computing_publication_material  'publCIF (Westrip, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9118
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         2.48
_exptl_absorpt_coefficient_mu    1.811
_exptl_absorpt_correction_T_max  0.733
_exptl_absorpt_correction_T_min  0.677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.492
_refine_diff_density_min         -0.429
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     137
_refine_ls_number_reflns         2354
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0281
_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^)+(0.0166P)^2^+1.0911P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0585
_reflns_number_gt                2245
_reflns_number_total             2354
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2489.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2219041
_cod_database_fobs_code          2219041