Information card for entry 7008684

Structure parameters

• Formula: C21 H34 I N P2 Pt
• Calculated formula: C21 H34 I N P2 Pt
• SMILES: [Pt](I)(C#Cc1ccc(cc1)C#N)([P](CC)(CC)CC)[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: 8.609 ± 0.002 Å
• b: 14.534 ± 0.006 Å
• c: 19.817 ± 0.009 Å
• α: 95.63 ± 0.03°
• β: 90.51 ± 0.03°
• γ: 90.93 ± 0.04°
• Cell volume: 2467.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No