Information card for entry 2014193

Structure parameters

• Common name: trans-bis(N-propyl-N'-benzoylthiourea)diiodoplatinum(II)
• Chemical name: trans-diiodobis(N-propyl-N'-benzoylthiourea-κS)platinum(II)
• Formula: C22 H28 I2 N4 O2 Pt S2
• Calculated formula: C22 H28 I2 N4 O2 Pt S2
• SMILES: [Pt](I)(I)([S]=C(NC(=O)c1ccccc1)NCCC)[S]=C(NC(=O)c1ccccc1)NCCC
• Title of publication: Intramolecular hydrogen-bond-directed coordination: <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)diiodoplatinum(II) and <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)dibromoplatinum(II)
• Authors of publication: Westra, Arjan N.; Esterhuysen, Catharine; Koch, Klaus R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m395 - m398
• a: 7.3485 ± 0.0004 Å
• b: 10.2458 ± 0.0006 Å
• c: 10.5738 ± 0.0006 Å
• α: 67.725 ± 0.001°
• β: 74.742 ± 0.001°
• γ: 70.468 ± 0.001°
• Cell volume: 685.76 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0151
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No