Information card for entry 7003055

Structure parameters

• Common name: P-(N-Adamantyl-1-amino)-cyclopentadienylidene- diphenylphosphorane
• Chemical name: P-(N-Adamantyl-1-amino)-cyclopentadienylidene- diphenylphosphorane
• Formula: C27 H30 N P
• Calculated formula: C27 H30 N P
• SMILES: C1(C=CC=C1)=P(c1ccccc1)(c1ccccc1)NC12CC3CC(CC(C1)C3)C2
• Title of publication: P-Amino-cyclopentadienylidene-phosphoranes versus P-cyclopentadienyl-iminophosphoranes—tautomeric protic forms of a new bidentate CpPN ligand system
• Authors of publication: Petrov, Alex R.; Rufanov, Konstantin A.; Ziemer, Burkhard; Neubauer, Petra; Kotov, Vasily V.; Sundermeyer, Jörg
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 909 - 915
• a: 11.418 ± 0.0016 Å
• b: 9.7728 ± 0.0013 Å
• c: 19.444 ± 0.003 Å
• α: 90°
• β: 99.072 ± 0.018°
• γ: 90°
• Cell volume: 2142.5 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No