Information card for entry 4308771

Structure parameters

• Formula: C10 H13 N3 O
• Calculated formula: C10 H13 N3 O
• SMILES: O=C(N/N=C(/c1ccccc1)CC)N
• Title of publication: Interactions of Rh(III)-Dihydrido-Bis(phosphine) Complexes with Semicarbazones
• Authors of publication: Maria B. Ezhova; Brian O. Patrick; Kapila N. Sereviratne; Brian R. James; Francis J. Waller; Michael E. Ford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1482 - 1491
• a: 17.885 ± 0.002 Å
• b: 15.005 ± 0.003 Å
• c: 7.4444 ± 0.0008 Å
• α: 90 ± 0.002°
• β: 90 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 1997.8 ± 0.5 ų
• Cell temperature: 198.2 K
• Ambient diffraction temperature: 198.2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No