Information card for entry 4081980

Structure parameters

• Formula: C43 H51 Cl N2 O Ru
• Calculated formula: C43 H51 Cl N2 O Ru
• SMILES: [Ru]123456789([c]%10([c]1([cH]2[c]3([cH]4[c]5%10C)C)C)c1nc2c3nc(ccc3Cc2cc1)c1c(cc(cc1C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.[Cl-].O1CCCC1
• 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: 8.6949 ± 0.0005 Å
• b: 12.8439 ± 0.0006 Å
• c: 18.2838 ± 0.0009 Å
• α: 79.607 ± 0.002°
• β: 86.131 ± 0.002°
• γ: 82.085 ± 0.002°
• Cell volume: 1987.33 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No