(1<i>RS</i>,2<i>RS</i>)-4,4'-(1-Azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium tetrachloridoplatinate(II) chloride
Campos-Gaxiola, José J.; Almaral-Sanchez, Jorge L.; Cruz-Enríquez, Adriana; Höpfl, Herbert; Parra-Hake, Miguel; Acta Crystallographica Section E 69 (2013) m157–m158; doi:10.1107/S160053681300425X

data_2237561
_publ_section_title
;
 (1<i>RS</i>,2<i>RS</i>)-4,4'-(1-Azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium
 tetrachloridoplatinate(II) chloride
;
_journal_coeditor_code           SU2560
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m157
_journal_page_last               m158
_journal_paper_doi               10.1107/S160053681300425X
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '(C12 H16 N3 O) [Pt Cl4] Cl'
_chemical_formula_moiety         'C12 H16 N3 O 3+, Pt Cl4 2-, Cl -'
_chemical_formula_sum            'C12 H16 Cl5 N3 O Pt'
_chemical_formula_weight         590.62
_chemical_name_systematic
;(1<i>RS</i>,2<i>RS</i>)-4,4'-(1-Azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium
tetrachloridoplatinate(II) chloride
;
_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           SHELXL-97
_cell_angle_alpha                88.689(4)
_cell_angle_beta                 84.240(4)
_cell_angle_gamma                70.148(4)
_cell_formula_units_Z            2
_cell_length_a                   7.636(2)
_cell_length_b                   8.082(2)
_cell_length_c                   14.599(4)
_cell_measurement_reflns_used    926
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.68
_cell_volume                     843.1(4)
_computing_cell_refinement       '<i>SAINT-Plus-NT</i> (Bruker 2001)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        '<i>SAINT-Plus-NT</i> (Bruker 2001)'
_computing_molecular_graphics
;ORTEP-3 for Windows (Farrugia, 2012) and
<i>Mercury</i> (Macrae <i>et al.</i>, 2008)
;
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0647
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5093
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.68
_exptl_absorpt_coefficient_mu    9.116
_exptl_absorpt_correction_T_max  0.4076
_exptl_absorpt_correction_T_min  0.0921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.342
_refine_diff_density_min         -1.977
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         2911
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0375
_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^)+(0.0430P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.0913
_reflns_number_gt                2726
_reflns_number_total             2911
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            su2560.cif
_cod_data_source_block           I
_cod_database_code               2237561
_cod_database_fobs_code          2237561