Structural Features of a New Dinuclear Platinum(II) Complex with Significant Antiproliferative Activity
Luigi Messori; Jiajiu Shaw; Mercedes Camalli; Pasquale Mura; Giordana Marcon; Inorganic Chemistry 42 (2003) 6166–6168; doi:10.1021/ic034025l

data_4314339
_publ_contact_author_address
; Department of Chemistry - University of Florence 
Via della Lastruccia 3 - 50019 Sesto Fiorentino
Florence -  Italy
;
_publ_contact_author_email       luigi.messori@unifi.it
_publ_contact_author_name        'Luigi Messori'
_publ_section_title
;
 Structural Features of a New Dinuclear Platinum(II) Complex with
 Significant Antiproliferative Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6166
_journal_page_last               6168
_journal_paper_doi               10.1021/ic034025l
_journal_volume                  42
_journal_year                    2003
_chemical_compound_source
;
;
_chemical_formula_moiety         'C10 H22 Cl4 N4 O2 Pt2'
_chemical_formula_sum            'C10 H22 Cl4 N4 O2 Pt2'
_chemical_formula_weight         762.30
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.30(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.896(4)
_cell_length_b                   13.527(4)
_cell_length_c                   11.731(3)
_cell_measurement_radiation      CuKa
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      24.84
_cell_measurement_theta_min      15.24
_cell_measurement_wavelength     1.54178
_cell_volume                     920.5(7)
_computing_cell_refinement
'MSC/AFC (Molecular Structure Coorporation, 1988)'
_computing_data_collection
'MSC/AFC (Molecular Structure Coorporation, 1988)'
_computing_data_reduction
'TEXSAN (Molecular Structure Coorporation, 1985)'
_computing_molecular_graphics    'CAOS  (Camalli & Spagna, 1994)'
_computing_publication_material  'CAOS  (Camalli & Spagna, 1994)'
_computing_structure_refinement  'CAOS  (Camalli & Spagna, 1994)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Rigaku AFC-5 four circle'
_diffrn_measurement_method       '\q/2\q scan'
_diffrn_radiation_detector       'NaI scintillator'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           CuKa
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.120
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5658
_diffrn_reflns_theta_max         62.05
_diffrn_reflns_theta_min         3.26
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    34.021
_exptl_absorpt_correction_T_max  0.0920
_exptl_absorpt_correction_T_min  0.0820
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    2.747
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.000
_refine_diff_density_min         0.000
_refine_diff_density_rms         0.000
_refine_ls_abs_structure_details
;
;
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.869
_refine_ls_goodness_of_fit_gt    0.869
_refine_ls_goodness_of_fit_ref   0.869
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     60
_refine_ls_number_reflns         812
_refine_ls_R_factor_all          0.105
_refine_ls_R_factor_gt           0.105
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '     w=1/(24.3643+1*F+0.006*F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.135
_refine_ls_wR_factor_gt          0.135
_refine_ls_wR_factor_ref         0.135
_reflns_d_resolution_high        0.873
_reflns_d_resolution_low         8.780
_reflns_limit_h_max              6
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              13
_reflns_limit_l_min              -12
_reflns_number_gt                812
_reflns_number_total             1448
_reflns_threshold_expression     ' F >6.0 s(F) '
_cod_data_source_file            ic034025lsi20030113_112700.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_atom_site_thermal_displace_type'
value 'uani' changed to 'Uani' according to the built-in table from
CIF Core dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29 (3 times).

'_atom_site_thermal_displace_type' value
'uiso' changed to 'Uiso' according to the built-in table from CIF
Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29
(19 times).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        920.4(7)
_cod_database_code               4314339