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_7025256
_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 H31 N10 O4 Pt2, 3(Cl O4), H2 O'
_chemical_formula_sum            'C14 H33 Cl3 N10 O17 Pt2'
_chemical_formula_weight         1110.03
_chemical_name_common
;
Aqua-1kappaO)bis(ethane-1,2-diamine-
1kappa$2!N,N',2kappa$2!N,N') (hydroxido-2kappaO)bis(miu-1-
methylcytosinato-kappa$2!N3,N4) diplatinum(iii)(Pt-Pt) triperchlorate
monohydrate
;
_chemical_name_systematic
;
Aqua-1kappaO)bis(ethane-1,2-diamine-1kappa^2^N,N',2kappa^2^N,N')
(hydroxido-2kappaO)bis(miu-1-methylcytosinato-kappa^2^N3,N4)
diplatinum(III)(Pt-Pt) triperchlorate monohydrate
;
_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                67.701(2)
_cell_angle_beta                 70.504(2)
_cell_angle_gamma                64.629(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2503(4)
_cell_length_b                   12.3786(4)
_cell_length_c                   13.0732(5)
_cell_measurement_reflns_used    484
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.06
_cell_measurement_theta_min      2.90
_cell_volume                     1489.76(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0495
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            60066
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    9.742
_exptl_absorpt_correction_T_max  0.3228
_exptl_absorpt_correction_T_min  0.2461
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         4.069
_refine_diff_density_min         -1.825
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         4655
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0264
_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^)+(0.0330P)^2^+13.4332P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0664
_refine_ls_wR_factor_ref         0.0685
_reflns_number_gt                4154
_reflns_number_total             4655
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b926133h.txt
_cod_data_source_block           vedj036
_cod_original_cell_volume        1489.76(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025256