Information card for entry 7708013

Structure parameters

• Formula: C9 H27 N3 P2 Pt
• Calculated formula: C9 H27 N3 P2 Pt
• SMILES: [Pt]([P](C)(C)C)(N=N#N)([P](C)(C)C)(C)(C)C
• Title of publication: SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions.
• Authors of publication: Shen, Yu-Hsuan; Esper, Alec M.; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.; Ehm, Christian; Veige, Adam S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12681 - 12691
• a: 13.7352 ± 0.0009 Å
• b: 11.7608 ± 0.0007 Å
• c: 19.1917 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3100.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0237
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No