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_2009049
_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 (C4 H12 N2) (C6 H7 O2)2]'
_chemical_formula_moiety         'C16 H26 N2 O4 Pt'
_chemical_formula_sum            'C16 H26 N2 O4 Pt'
_chemical_formula_weight         505.48
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.630(3)
_cell_length_b                   14.938(3)
_cell_length_c                   9.2760(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.2
_cell_measurement_theta_min      15.6
_cell_volume                     1750.1(6)
_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  0.036
_diffrn_reflns_av_sigmaI/netI    0.047
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5478
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0.5
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.039
_exptl_absorpt_correction_T_max  0.448
_exptl_absorpt_correction_T_min  0.213
_exptl_absorpt_correction_type   \y-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_density_meas      1.91
_exptl_crystal_density_method    'flotation in CCl~4~/CHBr~3~'
_exptl_crystal_description       'rhombic plate'
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.84
_refine_ls_abs_structure_details '(Flack, 1983)'
_refine_ls_abs_structure_Flack   0.040(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         5104
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.036
_refine_ls_R_factor_gt           0.029
_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^)+(0.0272P)^2^+0.0057P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.068
_reflns_number_gt                4715
_reflns_number_total             5104
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob1013.cif
_cod_data_source_block           2
_cod_original_cell_volume        1750.0(5)
_cod_database_code               2009049