Information card for entry 7008686

Structure parameters

• Formula: C28 H38 I2 P2 Pt
• Calculated formula: C28 H38 I2 P2 Pt
• SMILES: C(#Cc1ccc(cc1)I)[Pt]([P](CC)(CC)CC)(C#Cc1ccc(cc1)I)[P](CC)(CC)CC
• Title of publication: I...pi halogen-bonding in the structures of platinum-alkynyl compounds: an overlooked supramolecular interaction.
• Authors of publication: Adams, Christopher J.; Bowen, Lucy E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 13
• Pages of publication: 2239 - 2240
• a: 9.4839 ± 0.001 Å
• b: 15.066 ± 0.0014 Å
• c: 11.1185 ± 0.0017 Å
• α: 90°
• β: 97.685 ± 0.009°
• γ: 90°
• Cell volume: 1574.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No