Information card for entry 7001215

Structure parameters

• Formula: C32 H46 Br N3 O Pt
• Calculated formula: C32 H46 Br N3 O Pt
• SMILES: [Pt]1(Br)(C)(C)([n]2ccc(cc2c2cc(cc[n]12)C(C)(C)C)C(C)(C)C)Cc1ccc(cc1)C(=O)NC(C)(C)C
• Title of publication: Supramolecular organoplatinum(iv) chemistry: a nanotube structure supported by hydrogen bonds
• Authors of publication: Au, Richard H. W.; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3519 - 3525
• a: 20.983 ± 0.0008 Å
• b: 14.4635 ± 0.0005 Å
• c: 10.5574 ± 0.0005 Å
• α: 90°
• β: 92.691 ± 0.002°
• γ: 90°
• Cell volume: 3200.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0959
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No