Synthesis and structures of novel 1-methylcytosinato-bridged (ethylenediamine)platinum(II) and platinum(III) dinuclear complexes.
Djinovic, Vesna M.; Galanski, Markus; Arion, Vladimir B.; Keppler, Bernhard K.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 3633–3643; doi:10.1039/b926133h

data_7025258
_publ_section_title
;
 Synthesis and structures of novel 1-methylcytosinato-bridged
 (ethylenediamine)platinum(II) and platinum(III) dinuclear complexes.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3633
_journal_page_last               3643
_journal_paper_doi               10.1039/b926133h
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C14 H28 N10 O10 Pt2 S2, 2(H2 O), 2(O0.80)'
_chemical_formula_sum            'C14 H35.2 N10 O13.6 Pt2 S2'
_chemical_formula_weight         1015.62
_chemical_name_common
;
Bis(ethane-1,2-diamine-1kappa$2!N,N',2kappa$2!N,N')bis(miu-1-
methylcytosinato-kappa$2!N3,N4)(disulfato-
1kappaO,2kappaO)diplatinum(iii)(Pt-Pt) hydrate
;
_chemical_name_systematic
;
Bis(ethane-1,2-diamine-1kappa^2^N,N',2kappa^2^N,N')bis(miu-1-methylcytosinato-
kappa^2^N3,N4)(disulfato-1kappaO,2kappaO)diplatinum(III)(Pt-Pt) hydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 125.859(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.8579(6)
_cell_length_b                   12.0130(6)
_cell_length_c                   14.3117(6)
_cell_measurement_reflns_used    489
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      3.38
_cell_volume                     2767.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0777
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23112
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    10.334
_exptl_absorpt_correction_T_max  0.8200
_exptl_absorpt_correction_T_min  0.4247
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.558
_refine_diff_density_min         -1.241
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     201
_refine_ls_number_reflns         2718
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0270
_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^)+(0.0313P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0572
_refine_ls_wR_factor_ref         0.0605
_reflns_number_gt                2191
_reflns_number_total             2718
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b926133h.txt
_cod_data_source_block           vedj047
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C14 H35.20 N10 O13.60 Pt2 S2'
_cod_database_code               7025258