Information card for entry 4515867

Structure parameters

• Formula: C30 H33 Br N4 O2 Pt
• Calculated formula: C30 H33 Br N4 O2 Pt
• SMILES: [Pt]1(Br)([n]2c(c3[n]1cccc3)c1c(c(n2)c2ncccc2)CCCCCC1)(Cc1ccc(C(=O)O)cc1)(C)C
• Title of publication: Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.
• Authors of publication: McCready, Matthew S.; Puddephatt, Richard J.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 13621 - 13629
• a: 9.0266 ± 0.0005 Å
• b: 20.43 ± 0.0009 Å
• c: 14.744 ± 0.0006 Å
• α: 90°
• β: 94.271 ± 0.004°
• γ: 90°
• Cell volume: 2711.4 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No