Information card for entry 4305988

Structure parameters

• Common name: (CPh2)P8(Nb(OC[Ad]Mes)3)
• Formula: C73 H85 Nb O3 P8
• Calculated formula: C73 H85 Nb O3 P8
• SMILES: [Nb]1(P2P3P4P(P12)P1P(P31)C4(c1ccccc1)c1ccccc1)(OC(=C1C2CC3CC(CC1C3)C2)c1c(cc(C)cc1C)C)(OC(=C1C2CC3CC(CC1C3)C2)c1c(C)cc(cc1C)C)OC(=C1C2CC3CC1CC(C2)C3)c1c(C)cc(cc1C)C
• Title of publication: Phosphaalkenes as Long-Lived Phosphorus Cluster Surface Functional Groups: Intramolecular P=C Addition to a Niobium-Supported P7 Cage
• Authors of publication: Brandi M. Cossairt; Christopher C. Cummins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9363 - 9371
• a: 12.7948 ± 0.0007 Å
• b: 15.1999 ± 0.0008 Å
• c: 18.6193 ± 0.001 Å
• α: 94.99 ± 0.001°
• β: 96.67 ± 0.001°
• γ: 110.899 ± 0.001°
• Cell volume: 3327.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No