(Malonato-κ^2^<i>O</i>,<i>O</i>')(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)
Odoko, Mamiko; Okabe, Nobuo; Acta Crystallographica Section E 63 (2007) m631–m633; doi:10.1107/S1600536807004199

data_2212376
_publ_section_title
(Malonato-\k^2^<i>O</i>,<i>O</i>')(propane-1,3-diamine-\k^2^<i>N</i>,<i>N</i>')palladium(II)
_journal_coeditor_code           SJ2210
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m631
_journal_page_last               m633
_journal_paper_doi               10.1107/S1600536807004199
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pd (C3 H2 O4) (C3 H10 N2)]'
_chemical_formula_moiety         'C6 H12 N2 O4 Pd'
_chemical_formula_sum            'C6 H12 N2 O4 Pd'
_chemical_formula_weight         282.60
_chemical_name_systematic
;
(Malonato-\k^2^O:O')(propane-1,3-diamine-\k^2^N:N')palladium(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.93(3)
_cell_angle_beta                 90.83(4)
_cell_angle_gamma                95.03(4)
_cell_formula_units_Z            2
_cell_length_a                   4.430(5)
_cell_length_b                   8.940(10)
_cell_length_c                   11.400(10)
_cell_measurement_reflns_used    4173
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.4
_cell_volume                     429.9(8)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction
;CrystalStructure (Rigaku/MSC, 2005) and
CRYSTALS (Betteridge <i>et al.</i>,  2003)
;
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9919
_diffrn_measured_fraction_theta_max 0.9919
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4252
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.143
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.183
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             280.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1958
_refine_ls_R_factor_gt           0.0160
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0242P)^2^+0.1199P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0430
_reflns_number_gt                1889
_reflns_number_total             1958
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            sj2210.cif
_cod_data_source_block           I
_cod_database_code               2212376