Information card for entry 7007066

Structure parameters

• Formula: C16 H24 I N3 P2
• Calculated formula: C16 H24 I N3 P2
• SMILES: [I-].[P+]1(P(N(C)C)c2cccc3cccc1c23)(N(C)C)N(C)C
• Title of publication: Preparation and structures of 1,2-dihydro-1,2-diphosphaacenaphthylenes and rigid backbone stabilized triphosphenium cation.
• Authors of publication: Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 18
• Pages of publication: 2175 - 2183
• a: 15.133 ± 0.004 Å
• b: 8.0121 ± 0.0019 Å
• c: 15.587 ± 0.003 Å
• α: 90°
• β: 94.942 ± 0.006°
• γ: 90°
• Cell volume: 1882.9 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No