Information card for entry 7708015

Structure parameters

• Formula: C17 H39 N3 P2 Pt
• Calculated formula: C17 H39 N3 P2 Pt
• SMILES: [Pt]([P](C)(C)C)([P](C)(C)C)(n1nc2c(n1)CCCCCC2)(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: 7.5376 ± 0.0009 Å
• b: 13.5921 ± 0.0017 Å
• c: 21.634 ± 0.003 Å
• α: 90°
• β: 98.856 ± 0.004°
• γ: 90°
• Cell volume: 2190 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No