Information card for entry 4073595

Structure parameters

• Formula: C17 H31 F6 N2 P
• Calculated formula: C17 H31 F6 N2 P
• SMILES: C1=[N+](CCCCN1C1CCCCC1)C1CCCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: First Examples of Diazepanylidene Carbenes and Their Late-Transition-Metal Complexes
• Authors of publication: Iglesias, Manuel; Beetstra, Dirk J.; Stasch, Andreas; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 4800
• a: 10.8504 ± 0.0003 Å
• b: 9.7539 ± 0.0004 Å
• c: 18.4811 ± 0.0005 Å
• α: 90°
• β: 95.123 ± 0.002°
• γ: 90°
• Cell volume: 1948.11 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No