Information card for entry 4073597

Structure parameters

• Formula: C25 H42 Cl N2 Rh
• Calculated formula: C25 H42 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(CCCCN4C4CCCCC4)C4CCCCC4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 13.075 ± 0.003 Å
• b: 11.031 ± 0.002 Å
• c: 16.955 ± 0.003 Å
• α: 90°
• β: 102.86 ± 0.03°
• γ: 90°
• Cell volume: 2384.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No