<i>cis</i>-Bis(3,6-dihydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II) and <i>cis</i>-bis(3,4,5,6-tetrahydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II)
Saltmarsh, Jennifer A.; Howell, Bob A.; Squattrito, Philip J.; Acta Crystallographica Section C 56 (2000) e335–e337; doi:10.1107/S0108270100009707

data_2011272
_publ_section_title
;<i>cis</i>-Bis(3,6-dihydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II)
 and
 <i>cis</i>-bis(3,4,5,6-tetrahydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e335
_journal_page_last               e337
_journal_paper_doi               10.1107/S0108270100009707
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Pt (C4 H7 N O)2 I2]'
_chemical_formula_moiety         'C8 H14 I2 N2 O2 Pt'
_chemical_formula_sum            'C8 H14 I2 N2 O2 Pt'
_chemical_formula_weight         619.11
_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'
_cell_angle_alpha                90
_cell_angle_beta                 92.28(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.146(4)
_cell_length_b                   9.003(7)
_cell_length_c                   15.035(2)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    296
_cell_measurement_theta_max      13.4
_cell_measurement_theta_min      9.2
_cell_volume                     1372.3(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1988)
;
_computing_data_reduction
;
TEXSAN (Molecular Structure Corporation, 1991)
;
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'MITHRIL (Gilmore, 1983)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device       'Rigaku AFC-6S'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .022
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2718
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        3.5
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.8
_exptl_absorpt_correction_T_max  .052
_exptl_absorpt_correction_T_min  .039
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            yellow--orange
_exptl_crystal_density_diffrn    2.996
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'flat needle'
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .20
_refine_diff_density_max         1.49
_refine_diff_density_min         -.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.48
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1544
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           .030
_refine_ls_shift/su_max          .016
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/\s^2^(F~o~^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         .028
_reflns_number_gt                1544
_reflns_number_total             2387
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            qa0357.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 29 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1372.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2011272
_cod_database_fobs_code          2011272