Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)
Yuge, Hidetaka; Miyamoto, Takeshi Ken; Acta Crystallographica Section C 55 (1999) 1617–1620; doi:10.1107/S0108270199008069

data_2009048
_publ_section_title
;Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II)
 trihydrate and
 bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1617
_journal_page_last               1620
_journal_paper_doi               10.1107/S0108270199008069
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Pt (C2 H8 N2) (C6 H7 O2)2] , 3H2 O'
_chemical_formula_moiety         'C14 H22 N2 O4 Pt, 3(H2 O)'
_chemical_formula_sum            'C14 H28 N2 O7 Pt'
_chemical_formula_weight         531.47
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.570(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1520(10)
_cell_length_b                   20.8860(10)
_cell_length_c                   9.5550(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.6
_cell_measurement_theta_min      16.7
_cell_volume                     1810.5(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
1993a)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1993b)'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating Mo anticathode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_av_sigmaI/netI    0.037
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5587
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0.8
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.787
_exptl_absorpt_correction_T_max  0.459
_exptl_absorpt_correction_T_min  0.171
_exptl_absorpt_correction_type   \y-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_meas      1.96
_exptl_crystal_density_method    'flotation in CCl~4~/CHBr~3~'
_exptl_crystal_description       'rhombic plate'
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.88
_refine_diff_density_min         -1.07
_refine_ls_extinction_coef       0.00150(10)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         5285
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.041
_refine_ls_R_factor_gt           0.025
_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^)+(0.0228P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.058
_reflns_number_gt                4283
_reflns_number_total             5285
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob1013.cif
_cod_data_source_block           Ptchdo
_cod_original_cell_volume        1810.4(4)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2009048