Information card for entry 4515935

Structure parameters

• Formula: C14 H18 I2 N2 O Pt
• Calculated formula: C14 H18 I2 N2 O Pt
• SMILES: [Pt]1(I)(I)([n]2ccccc2C[NH]1c1cc(O)ccc1)(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: 7.942 ± 0.005 Å
• b: 19.31 ± 0.02 Å
• c: 22.77 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3492 ± 5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No