Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures
Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert; Inorganic Chemistry 38 (1999) 1481–1490; doi:10.1021/ic981005o

data_4321868
_publ_contact_author_address
; Fachbereich Chemie
  Universit\"at Dortmund
  Otto-Hahn-Str. 8
  D-44221 Dortmund
  Germany
;
_publ_contact_author_email       lippert@pop.uni-dortmund.de
_publ_contact_author_fax         'Int. code + (231) 755-3797'
_publ_contact_author_name        'Prof. Bernhard Lippert'
_publ_contact_author_phone       '231 755-3840'
_publ_section_title
;
 Metal-Modified Base Pairs Involving Different Donor Sites of Purine
 Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and
 trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH =
 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to
 Metalated DNA Triplex Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1481
_journal_page_last               1490
_journal_paper_doi               10.1021/ic981005o
_journal_volume                  38
_journal_year                    1999
_chemical_formula_moiety         'C16 H28 Cl2 N12 O10 Pt '
_chemical_formula_sum            'C16 H28 Cl2 N12 O10 Pt'
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_symmetry_cell_setting           orthorhombic
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_symmetry_space_group_name_Hall  'P 2c -2ac'
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_audit_creation_date             'Sat Aug  1 11:40:53 1998'
_audit_creation_method           'from TEXRAY.INF file'
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_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.886(1)
_cell_length_b                   14.698(1)
_cell_length_c                   13.008(3)
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_cell_measurement_temperature    103.2
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      25.0
_cell_volume                     2654.9(7)
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_computing_publication_material  teXsan
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_diffrn_orient_matrix_UB_32      -0.06823
_diffrn_orient_matrix_UB_33      0.00356
_diffrn_radiation_detector       'CCD plate'
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_diffrn_radiation_type           MoKalpha
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_reduction_process d*TREK
_diffrn_reflns_theta_max         24.99
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_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.761
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_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.038
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
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_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
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_refine_diff_density_min         -0.59
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   none
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    none
_refine_ls_number_parameters     231
_refine_ls_number_reflns         1355
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0341
_refine_ls_shift/esd_max         0.0060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0444
_reflns_number_observed          1355
_reflns_number_total             2615
_reflns_observed_criterion       3.00
_cod_data_source_file            ic981005o_3.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2654.9(5)
_cod_original_sg_symbol_H-M      'P c a 21 '
_cod_original_formula_sum        'C16 H28 Cl2 N12 O10 Pt '
_cod_database_code               4321868