Platinum(II) Complexes of Piperazine (and Derivatives): <i>trans</i>-Dichlorobis(<i>N</i>-methylpiperazine-<i>N</i>')platinum(II)
Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni; Acta Crystallographica Section C 54 (1998) 27–29; doi:10.1107/S0108270197012353

data_2006938
_publ_contact_author
;
      Prof Armando Marzotto
      Dipartimento di Chimica Inorganica, Metallorganica ed Analitica
      Universit\`a degli Studi di Padova
      Via Loredan n. 4
      I-35131 Padova
      Italy
;
_publ_section_title
;
 Platinum(II) Complexes of Piperazine (and Derivatives):
 <i>trans</i>-Dichlorobis(<i>N</i>-methylpiperazine-<i>N</i>')platinum(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              27
_journal_page_last               29
_journal_paper_doi               10.1107/S0108270197012353
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[Pt Cl2 (C5 H12 N2)2]'
_chemical_formula_moiety         'C10 H24 Cl2 N4 Pt'
_chemical_formula_sum            'C10 H24 Cl2 N4 Pt'
_chemical_formula_weight         466.32
_chemical_name_systematic
;
trans-[bis(N-methylpiperazine)dichloroplatinum(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
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_audit_creation_method           'SHELXL-93 and manual form'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.10(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.451(2)
_cell_length_b                   13.307(2)
_cell_length_c                   8.885(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     759.7(3)
_computing_cell_refinement       'Philips PW1100/20 software'
_computing_data_collection       'Philips PW1100/20 software'
_computing_data_reduction        'RIFLUP80 (Biagini et al., 1980)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'using coordinates of isomorphous Pd-complex'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Philips PW1100/20 diffractometer'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0178
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
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_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1942
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         2.76
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.573
_exptl_absorpt_correction_T_max  0.091
_exptl_absorpt_correction_T_min  0.049
_exptl_absorpt_correction_type
'semi-empirical, \y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.039
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             448
_exptl_crystal_size_max          0.30
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_refine_diff_density_max         1.218
_refine_diff_density_min         -1.869
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    'H atoms riding with fixed U'
_refine_ls_matrix_type           full
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_refine_ls_restrained_S_obs      1.104
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_obs          .0242
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0439P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0706
_refine_ls_wR_factor_obs         .0635
_reflns_number_observed          1289
_reflns_number_total             1837
_reflns_observed_criterion       I>2sigma(I)
_cod_data_source_file            ln1009.cif
_cod_data_source_block           apt10n
_cod_depositor_comments
;
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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0439P)^2^] where P=(Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[\s^2^(Fo^2^)+(0.0439P)^2^]
where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2006938
_cod_database_fobs_code          2006938