<i>N</i>,<i>N</i>'-bis[(3-hydroxy-4(4<i>H</i>)-oxypyran-2-yl)methyl]-<i>N</i>,<i>N</i>'-dimethylethylene-1,2-diammonium tetrachloridoplatinate(II) dihydrate
Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Paoli, Paola; Rossi, Patrizia; Acta Crystallographica Section E 68 (2012) m1323–m1324; doi:10.1107/S1600536812040949

data_2236504
_publ_section_title
;
 <i>N</i>,<i>N</i>'-bis[(3-hydroxy-4(4<i>H</i>)-oxypyran-2-yl)methyl]-<i>N</i>,<i>N</i>'-dimethylethylene-1,2-diammonium
 tetrachloridoplatinate(II) dihydrate
;
_journal_coeditor_code           NC2294
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1323
_journal_page_last               m1324
_journal_paper_doi               10.1107/S1600536812040949
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '(C16 H22 N2 O6 )  [Pt Cl4] , 2H2 O'
_chemical_formula_moiety         'C16 H22 N2 O6 2+, Pt Cl4 2-, 2(H2 O)'
_chemical_formula_sum            'C16 H26 Cl4 N2 O8 Pt'
_chemical_formula_weight         711.28
_chemical_name_systematic
;
<i>N</i>,<i>N</i>'-bis[(3-hydroxy-4(4<i>H</i>)-oxypyran-2-yl)methyl]-<i>N</i>,
<i>N</i>'-dimethylethylene-1,2-diammonium tetrachloridoplatinate(II)
dihydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                88.810(5)
_cell_angle_beta                 87.033(5)
_cell_angle_gamma                71.927(6)
_cell_formula_units_Z            1
_cell_length_a                   6.4775(4)
_cell_length_b                   7.0037(4)
_cell_length_c                   13.1628(8)
_cell_measurement_reflns_used    7279
_cell_measurement_temperature    150
_cell_measurement_theta_max      29.2408
_cell_measurement_theta_min      4.1152
_cell_volume                     566.92(6)
_computing_cell_refinement
;
CrysAlis PRO (Oxford Diffraction 2009)
;
_computing_data_collection
;
CrysAlis PRO (Oxford Diffraction 2009)
;
_computing_data_reduction
;
CrysAlis PRO (Oxford Diffraction 2009)
;
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'PARST97 (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 16.4547
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9431
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.34
_diffrn_reflns_theta_min         4.12
_exptl_absorpt_coefficient_mu    6.705
_exptl_absorpt_correction_T_max  0.262
_exptl_absorpt_correction_T_min  0.164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction 2009)
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    2.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             346
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.444
_refine_diff_density_min         -1.144
_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     158
_refine_ls_number_reflns         2719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0253P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0490
_refine_ls_wR_factor_ref         0.0490
_reflns_number_gt                2694
_reflns_number_total             2719
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            nc2294.cif
_cod_data_source_block           I
_cod_database_code               2236504
_cod_database_fobs_code          2236504