Information card for entry 4116387

Structure parameters

• Formula: C15 H22 N2 Ru
• Calculated formula: C15 H22 N2 Ru
• SMILES: [Ru]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)N1[N]5=[C]8([CH]7=[C]61C)C
• Title of publication: Ruthenium Complexes Bearing η5-Pyrazolato Ligands
• Authors of publication: Jayani R. Perera; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 4536 - 4537
• a: 10.7505 ± 0.0006 Å
• b: 11.1008 ± 0.0007 Å
• c: 12.4859 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1490.06 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0509
• Goodness-of-fit parameter for all reflections: 0.998
• Goodness-of-fit parameter for significantly intense reflections: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No