Information card for entry 4068676

Structure parameters

• Formula: C7 H15 Cu2 I3 N3 P
• Calculated formula: C7 H15 Cu2 I3 N3 P
• Title of publication: Unprecedented Metal-Free C(sp3)−C(sp3) Bond Cleavage: Switching fromN-Alkyl- toN-Methyl-1,3,5-triaza-7-phosphaadamantane
• Authors of publication: Kirillov, Alexander M.; Smoleński, Piotr; Haukka, Matti; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1683
• a: 7.2901 ± 0.0002 Å
• b: 24.1108 ± 0.0006 Å
• c: 8.9157 ± 0.0002 Å
• α: 90°
• β: 109.664 ± 0.002°
• γ: 90°
• Cell volume: 1475.72 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No