Information card for entry 7105855

Structure parameters

• Formula: C27 H22 Cl N7 O Ru
• Calculated formula: C27 H22 Cl N7 O Ru
• SMILES: [Ru]123(Cl)([n]4c(c5[n]2c(c2[n]1cccc2)ccc5)cccc4)N(CCc1ncccc1)C(=O)c1[n]3ccnc1
• Title of publication: Heteroleptic N6 coordinated ruthenium(II) complexes as building blocks for the formation of discrete Ru2Ag2 complexes
• Authors of publication: Holger Willms; Matthew Cowan; Sally Brooker
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1063
• a: 25.991 ± 0.007 Å
• b: 13.823 ± 0.005 Å
• c: 19.904 ± 0.007 Å
• α: 90°
• β: 106.586 ± 0.014°
• γ: 90°
• Cell volume: 6853 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No