Bis[(2,2-dimethyl-1,3-propanediamine-κ^2^<i>N</i>,<i>N</i>')(piperidine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)] sulfate
Rita Song; Kwan Mook Kim; Youn Soo Sohn; Acta Crystallographica Section C 59 (2003) m555–m557; doi:10.1107/S0108270103025678

data_2013717
_publ_section_title
;Bis[(2,2-dimethyl-1,3-propanediamine-\k^2^<i>N</i>,<i>N</i>')(piperidine-2-carboxylato-\k^2^<i>N</i>,<i>O</i>)platinum(II)]
 sulfate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m555
_journal_page_last               m557
_journal_paper_doi               10.1107/S0108270103025678
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Pt(C5 H14 N2)(C6 H10 N O2)]2 S O4'
_chemical_formula_moiety         '2C11 H24 N3 O2 Pt 1+, O4 S 2-'
_chemical_formula_sum            'C22 H48 N6 O8 Pt2 S'
_chemical_formula_weight         946.90
_chemical_name_systematic
;
Bis[(2,2-Dimethyl-1,3-propanediamine-\k^2^N,N')(piperidine-2-carboxylato-
\k^2^N,O)platinum(II)] sulfate
;
_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                101.882(14)
_cell_angle_beta                 91.135(13)
_cell_angle_gamma                95.216(12)
_cell_formula_units_Z            2
_cell_length_a                   6.0043(13)
_cell_length_b                   11.0480(18)
_cell_length_c                   23.763(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.25
_cell_measurement_theta_min      10.45
_cell_volume                     1535.0(5)
_computing_cell_refinement       CD4CA0
_computing_data_collection       'CD4CA0 (Enraf--Nonius, 1989)'
_computing_data_reduction        'CADDAT (Enraf-Nonius, 1989)'
_computing_molecular_graphics    'Ortep-3 for window (Farrugia, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0426
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            5955
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         0.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.224
_exptl_absorpt_correction_T_max  0.33
_exptl_absorpt_correction_T_min  0.12
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(CADDAT; Enraf--Nonius, 1989)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.049
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.737
_refine_diff_density_min         -0.733
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5387
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0267
_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^)+(0.0187P)^2^+2.3696P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0599
_refine_ls_wR_factor_ref         0.0645
_reflns_number_gt                4241
_reflns_number_total             5387
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ta1426.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C22 H48 N6 O8 Pt2 S1'
_cod_database_code               2013717
_cod_database_fobs_code          2013717