Information card for entry 4066059

Structure parameters

• Formula: C72 H82 N9 O11 Ru2
• Calculated formula: C72 H82 N9 O11 Ru2
• SMILES: [Ru]1234([Ru](N(c5[n]1cccc5)c1cc(OC)cc(OC)c1)(N(c1[n]2cccc1)c1cc(OC)cc(OC)c1)(N(c1[n]3cccc1)c1cc(OC)cc(OC)c1)N(c1[n]4cccc1)c1cc(OC)cc(OC)c1)C#Cc1ccc(N)cc1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Diruthenium Phenylacetylide Complexes Bearingpara-/meta-Amino Phenyl Substituents
• Authors of publication: Cummings, Steven P.; Cao, Zhi; Liskey, Carl W.; Geanes, Alex R.; Fanwick, Phillip E.; Hassell, Kerry M.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2783
• a: 13.2318 ± 0.0013 Å
• b: 13.9353 ± 0.0013 Å
• c: 21.626 ± 0.002 Å
• α: 105.296 ± 0.006°
• β: 90.477 ± 0.008°
• γ: 97.294 ± 0.008°
• Cell volume: 3811.6 ± 0.6 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.259
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No