Information card for entry 7001216

Structure parameters

• Formula: C72 H112 B2 F8 N8 O6 Pt2
• Calculated formula: C72 H112 B2 F8 N8 O6 Pt2
• SMILES: C[Pt]1(C)(Cc2ccc(cc2)C(=O)NC(C)(C)C)([n]2ccc(cc2c2cc(cc[n]12)C(C)(C)C)C(C)(C)C)[n]1cc[n]([Pt]2(C)(C)(Cc3ccc(cc3)C(=O)NC(C)(C)C)[n]3ccc(cc3c3cc(cc[n]23)C(C)(C)C)C(C)(C)C)cc1.[B](F)(F)(F)[F-].CO.CO.[B](F)(F)(F)[F-].CO.CO
• 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: 16.9121 ± 0.0009 Å
• b: 11.2195 ± 0.0006 Å
• c: 21.758 ± 0.001 Å
• α: 90°
• β: 92.45 ± 0.003°
• γ: 90°
• Cell volume: 4124.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No