Information card for entry 7007067

Structure parameters

• Formula: C28 H36 I2 N4 P4
• Calculated formula: C28 H36 I2 N4 P4
• SMILES: [I-].[I-].N([P+]1(P(c2cccc3cccc1c23)P1c2cccc3cccc([P+]1(N(C)C)N(C)C)c23)N(C)C)(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: 14.376 ± 0.004 Å
• b: 18.552 ± 0.004 Å
• c: 13.197 ± 0.003 Å
• α: 90°
• β: 117.087 ± 0.006°
• γ: 90°
• Cell volume: 3133.6 ± 1.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No