Effect of Ring Size on Coordination Properties of trans-1,2-Cycloalkanediamine Ligands: Synthesis of Dinuclear Platinum(II) Complexes as Potential DNA Cross-Linkers
Sandrine Ongeri; David J. Aitken; Henri-Philippe Husson; Jiří Kozelka; Bernard Viossat; Inorganic Chemistry 39 (2000) 6131–6133; doi:10.1021/ic000334p

data_4321680
_publ_contact_author_address
;
Laboratoire SEESIB associ\'e au CNRS-UMR 6504, D\'epartement de Chimie,
Universit\'e Blaise Pascal (Clermont-Ferrand II), 24 avenue des Landais,
63177 Aubi\`ere cedex, France
;
_publ_contact_author_email       ' aitken@chisg1.univ-bpclermont.fr '
_publ_contact_author_fax         ' 0473407717 '
_publ_contact_author_name        'Pr David J. Aitken'
_publ_contact_author_phone       ' 0473407184 '
_publ_section_title
;
 Effect of Ring Size on Coordination Properties of
 trans-1,2-Cycloalkanediamine Ligands: Synthesis of Dinuclear Platinum(II)
 Complexes as Potential DNA Cross-Linkers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6131
_journal_page_last               6133
_journal_paper_doi               10.1021/ic000334p
_journal_volume                  39
_journal_year                    2000
_chemical_compound_source        ?
_chemical_formula_moiety         ' C10 H26 CL4 N2 O2 Pt2 S2 '
_chemical_formula_sum            'C10 H26 Cl4 N2 O2 Pt2 S2'
_chemical_formula_weight         802.44
_chemical_name_systematic
;
 (SP-4-3)-chloro(trans-cyclohexane-1,2-diamine-N,N')(dimethylsulfoxyde-S)
 platinum(II) trichloro(dimethylsulfoxyde-S)platinate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             99-03-12
_audit_creation_method           CRYSTALS_ver_07-07-97
_cell_angle_alpha                90.0
_cell_angle_beta                 98.93(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.345(2)
_cell_length_b                   11.306(1)
_cell_length_c                   18.083(2)
_cell_measurement_reflns_used    259
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      1.65
_cell_volume                     2089.4(5)
_computing_cell_refinement       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_collection       'Stoe and Cie (1996)'
_computing_data_reduction        'Stoe and Cie (1996)'
_computing_molecular_graphics    'CAMERON (Watkin & al.,  1996)'
_computing_publication_material  'CRYSTALS Issue 10 (Watkin & al., 1996)'
_computing_structure_refinement  'CRYSTALS Issue 10 (Watkin & al., 1996)'
_computing_structure_solution    'SIR92 (Altomare al., 1992)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Stoe and Cie (1996)'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4067
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    14.23
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.55
_exptl_crystal_density_meas      ?
_exptl_crystal_description       parallelepipedic
_exptl_crystal_F_000             1473.61
_exptl_crystal_size_max          0.325
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.125
_refine_diff_density_max         2.84
_refine_diff_density_min         -3.40
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   1.0110
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     216
_refine_ls_number_reflns         3353
_refine_ls_R_factor_obs          0.0382
_refine_ls_shift/su_max          2.246994
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Chebychev polynomial with   3 parameters (Carruthers & Watkin, 1979)
 2.22 0.935E-01 1.92
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0395
_reflns_number_observed          3353
_reflns_number_total             19783
_reflns_observed_criterion       >2.00\s(I)
_cod_data_source_file            ic000334p.cif
_cod_data_source_block           IC000334P
_cod_depositor_comments
;
 Changing the _chemical_formula_sum data item value from
 'C11 H26 L4 N2 O2 Pt2 S2' to 'C10 H26 Cl4 N2 O2 Pt2 S2'.

 Antanas Vaitkus,
 2017-01-15

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'monoclinic ' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1673 2011-04-08 12:14:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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        2089.3
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        ' C10 H26 CL4 N2 O2 Pt2 S2 '
_cod_database_code               4321680