Information card for entry 4081973

Structure parameters

• Formula: C21 H22 N2 Ru
• Calculated formula: C21 H22 N2 Ru
• SMILES: [Ru]12345678([c]9%10cccn[c]19[c]12nccc[c]31[cH]4%10)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly
• Authors of publication: Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6511
• a: 14.0317 ± 0.0015 Å
• b: 14.4466 ± 0.0013 Å
• c: 17.2481 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3496.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No