Information card for entry 4110197

Structure parameters

• Formula: C54 H75 N4 P12
• Calculated formula: C54 H75 N4 P12
• SMILES: P(P1P2P3P4P5P(P=C6N(CCN6c6c(cccc6C(C)C)C(C)C)c6c(cccc6C(C)C)C(C)C)P3P(P12)P45)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: NHC-Mediated Aggregation of P4: Isolation of a P12 Cluster
• Authors of publication: Jason D. Masuda; Wolfgang W. Schoeller; Bruno Donnadieu; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14180 - 14181
• a: 10.6657 ± 0.0011 Å
• b: 15.3695 ± 0.0017 Å
• c: 38.351 ± 0.004 Å
• α: 90°
• β: 96.596 ± 0.001°
• γ: 90°
• Cell volume: 6245.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0942
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No