Information card for entry 4115421

Structure parameters

• Formula: C38 H58 Br N3
• Calculated formula: C38 H58 Br N3 Ru2
• SMILES: [Ru]123456([Ru]789%10%11%12([N]1(=[C]8([N]27C(C)C)C)C(C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)C#[N]c1c(cc(cc1C)C)C.[Br-]
• Title of publication: (η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals
• Authors of publication: Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 500 - 501
• a: 9.5292 ± 0.0005 Å
• b: 23.655 ± 0.001 Å
• c: 17.134 ± 0.001 Å
• α: 90°
• β: 103.147 ± 0.002°
• γ: 90°
• Cell volume: 3761 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 223.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No