<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_2011273
_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 H9 N O)2 I2]'
_chemical_formula_moiety         'C8 H18 I2 N2 O2 Pt'
_chemical_formula_sum            'C8 H18 I2 N2 O2 Pt'
_chemical_formula_weight         623.14
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.10(4)
_cell_angle_beta                 98.37(4)
_cell_angle_gamma                66.98(4)
_cell_formula_units_Z            2
_cell_length_a                   9.379(5)
_cell_length_b                   9.537(4)
_cell_length_c                   8.950(4)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    296
_cell_measurement_theta_max      16.1
_cell_measurement_theta_min      11.8
_cell_volume                     728.3(6)
_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    'SIR (Burla et al., 1989) '
_diffrn_ambient_temperature      296
_diffrn_measurement_device       'Rigaku AFC-6S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .079
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2734
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        7.0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.9
_exptl_absorpt_correction_T_max  .124
_exptl_absorpt_correction_T_min  .076
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.841
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             560
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .15
_refine_diff_density_max         2.35
_refine_diff_density_min         -3.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.70
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1673
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           .052
_refine_ls_shift/su_max          .004
_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         .058
_reflns_number_gt                1673
_reflns_number_total             2561
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            qa0357.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 33 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        728.3(7)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_database_code               2011273