Information card for entry 1519676

Structure parameters

• Formula: C33 H21 N9
• Calculated formula: C33 H21 N9
• SMILES: n1c(nc(nc1c1ccnc(c2ncccc2)c1)c1cc(c2ncccc2)ncc1)c1cc(c2ncccc2)ncc1
• Title of publication: A family of Ru(ii) complexes built on a novel sexipyridine building block: synthesis, photophysical properties and the rare structural characterization of a triruthenium species.
• Authors of publication: Laramée-Milette, Baptiste; Lussier, Félix; Ciofini, Ilaria; Hanan, Garry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11551 - 11561
• a: 8.3311 ± 0.0001 Å
• b: 19.4283 ± 0.0002 Å
• c: 16.2362 ± 0.0002 Å
• α: 90°
• β: 103.855 ± 0.001°
• γ: 90°
• Cell volume: 2551.52 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No