Information card for entry 7003874

Structure parameters

• Formula: C10 H18 I3 P3
• Calculated formula: C10 H18 I3 P3
• SMILES: P1(I)C2(C(C)(C)C)P(I)C1(C(C)(C)C)P2I
• Title of publication: Nucleophilic substitution reactions of the tricyclic triphosphorus cage P3(CBut)2: a novel route to polyphosphorus phosphenium complexes
• Authors of publication: Willans, Charlotte E.; Fish, Cheryl; Green, Michael; Kilby, Richard J.; Lynam, Jason M.; Russell, Christopher A.; Whitwood, Adrian C.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3422 - 3428
• a: 9.7125 ± 0.0006 Å
• b: 9.7125 ± 0.0006 Å
• c: 14.1758 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1158.08 ± 0.17 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No