(Oxalato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate
Odoko, Mamiko; Wang, Yue; Okabe, Nobuo; Acta Crystallographica Section E 60 (2004) m1825–m1827; doi:10.1107/S1600536804027357

data_2204624
_publ_section_title
;(Oxalato-\k^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')palladium(II)
 monohydrate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1825
_journal_page_last               m1827
_journal_paper_doi               10.1107/S1600536804027357
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Pd (C2 O4) (C12 H8 N2)] , H2 O'
_chemical_formula_moiety         'C14 H8 N2 O4 Pd1 , H2 O'
_chemical_formula_sum            'C14 H10 N2 O5 Pd'
_chemical_formula_weight         392.66
_chemical_name_systematic
;
(Oxalato-\k^2^O,O')(1,10-phenanthroline-\k^2^N,N')palladium(II) monohydrate
;
_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                72.36(4)
_cell_angle_beta                 88.96(3)
_cell_angle_gamma                75.55(4)
_cell_formula_units_Z            4
_cell_length_a                   7.028(7)
_cell_length_b                   11.527(15)
_cell_length_c                   17.85(2)
_cell_measurement_reflns_used    11758
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1332(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku/MSC, 2004)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9666
_diffrn_measured_fraction_theta_max 0.9666
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12903
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.420
_exptl_absorpt_correction_T_max  0.867
_exptl_absorpt_correction_T_min  0.601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       needle
_exptl_crystal_F_000             776.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.85
_refine_diff_density_min         -0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     410
_refine_ls_number_reflns         5903
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.041P)^2^+0.4089P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0730
_reflns_number_gt                5030
_reflns_number_total             5903
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6375.cif
_cod_data_source_block           I
_cod_original_cell_volume        1332(2)
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_original_formula_sum        'C14 H10 N2 O5 Pd1'
_cod_database_code               2204624