Dual Behaviour of Acetylacetonate Anions in the Hydrogen-Bonded Supramolecular Structure (Acetylacetonato-<i>O</i>,<i>O</i>')[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-diaminocyclohexane-<i>N</i>,<i>N</i>']platinum(II) Acetylacetonate
Yuge, Hidetaka; Miyamoto, Takeshi Ken; Acta Crystallographica Section C 53 (1997) 1816–1819; doi:10.1107/S0108270197010792

data_2006747
_publ_contact_author
;
Dr Hidetaka Yuge
Department of Chemistry
School of Science
Kitasato University
Sagamihara
Kanagawa 228
Japan
;
_publ_section_title
;Dual Behaviour of Acetylacetonate Anions in the Hydrogen-Bonded
 Supramolecular Structure
 (Acetylacetonato-<i>O</i>,<i>O</i>')[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-diaminocyclohexane-<i>N</i>,<i>N</i>']platinum(II)
 Acetylacetonate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1816
_journal_page_last               1819
_journal_paper_doi               10.1107/S0108270197010792
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Pt (C5 H7 O2) (C6 H14 N2)](C5 H7 O2)'
_chemical_formula_moiety         'C11 H21 N2 O2 Pt1, C5 H7 O2'
_chemical_formula_sum            'C16 H28 N2 O4 Pt'
_chemical_formula_weight         507.49
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4501(9)
_cell_length_b                   18.6708(11)
_cell_length_c                   7.9840(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      17.795
_cell_measurement_theta_min      15.045
_cell_volume                     1855.9(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 PROCESS (Molecular Structure Corporation, 1993b)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating Mo anticathode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0478
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6320
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         2.18
_diffrn_standards_decay_%        -2.1
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.580
_exptl_absorpt_correction_T_max  0.256
_exptl_absorpt_correction_T_min  0.189
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.816
_exptl_crystal_density_meas      1.821
_exptl_crystal_density_method    'flotation in CHBr~3~--toluene'
_exptl_crystal_description       prism
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.850
_refine_ls_abs_structure_details '(Flack, 1983)'
_refine_ls_abs_structure_Flack   -0.028(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.028
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         5420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_restrained_S_obs      1.028
_refine_ls_R_factor_obs          .0309
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0221P)^2^+0.6053P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .0615
_refine_ls_wR_factor_ref         0.0657
_reflns_number_observed          2658
_reflns_number_total             '3070 (2350 Friedel pairs)'
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ab1481.cif
_cod_data_source_block           rracac
_cod_original_formula_sum        'C16 H28 N2 O4 Pt1'
_cod_database_code               2006747