Information card for entry 4081971

Structure parameters

• Formula: C84 H88 N8 Ru4
• Calculated formula: C84 H88 N8 Ru4
• SMILES: c1ccc2c3[n]1[Ru]14567([n]8cccc(C2[Ru]29%10%11%12([n]%13cccc%14c%13c%13[n]%10cccc%13C%14[Ru]%10%13%14%15%16([n]%17cccc%18c%17c%17c(ccc[n]%10%17)C%18[Ru]%10%17%18%19%20([n]%21cccc%22c%21c%21[n]%10cccc%21C1%22)[c]1([c]%18([c]%20([c]%19([c]%171C)C)C)C)C)[c]1([c]%13([c]%15([c]%16([c]%141C)C)C)C)C)[c]1([c]2([c]9([c]%12([c]%111C)C)C)C)C)c38)[c]1([c]5([c]7([c]6([c]41C)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: 23.311 ± 0.0007 Å
• b: 14.1997 ± 0.0004 Å
• c: 16.9207 ± 0.0005 Å
• α: 90°
• β: 130.526 ± 0.001°
• γ: 90°
• Cell volume: 4257.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No