Information card for entry 4515936

Structure parameters

• Formula: C17 H24 I2 N2 O2 Pt
• Calculated formula: C17 H24 I2 N2 O2 Pt
• SMILES: [Pt]1(I)(I)([n]2ccccc2C[NH]1c1ccc(O)cc1)(C)C.O=C(C)C
• Title of publication: Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.
• Authors of publication: Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 10267 - 10272
• a: 11.333 ± 0.004 Å
• b: 13.086 ± 0.004 Å
• c: 14.249 ± 0.004 Å
• α: 90°
• β: 94.272 ± 0.007°
• γ: 90°
• Cell volume: 2107.3 ± 1.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0285
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No