Information card for entry 1557758

Structure parameters

• Common name: Trans-[PtCl2(C2H5CN)2]
• Formula: C6 H10 Cl2 N2 Pt
• Calculated formula: C6 Cl2 N2 Pt
• SMILES: [Pt]([N]#CCC)([N]#CCC)(Cl)Cl
• Title of publication: Thermal Cis to Trans Isomerization of [PtCl2(C2H5CN)2] and Crystal Structures of the cis- and trans-Isomers
• Authors of publication: Svensson, Per; Lovqvist, Karin; Kukushkin, Vadim Yu.; Oskarsson, Ake
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 72 - 75
• a: 5.1359 ± 0.0006 Å
• b: 9.393 ± 0.0007 Å
• c: 10.941 ± 0.0009 Å
• α: 90°
• β: 98.05 ± 0.01°
• γ: 90°
• Cell volume: 522.61 ± 0.09 ų
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No