Information card for entry 4515869

Structure parameters

• Formula: C21 H23 Br N4 Pt
• Calculated formula: C21 H23 Br N4 Pt
• SMILES: [Pt]1([n]2c(c3[n]1nc(c1c3CCCCCC1)c1ncccc1)cccc2)(Br)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: 18.083 ± 0.003 Å
• b: 12.964 ± 0.002 Å
• c: 8.3848 ± 0.0014 Å
• α: 90°
• β: 92.263 ± 0.004°
• γ: 90°
• Cell volume: 1964.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No