Information card for entry 7031472

Structure parameters

• Formula: C28 H19 N3
• Calculated formula: C28 H19 N3
• SMILES: c1(c2ccccn2)cc(cc(c2ccccn2)n1)c1ccc2c(c1)Cc1ccccc21
• Title of publication: Comparative photo-release of nitric oxide from isomers of substituted terpyridinenitrosylruthenium(ii) complexes: experimental and computational investigations.
• Authors of publication: Akl, Joëlle; Sasaki, Isabelle; Lacroix, Pascal G.; Malfant, Isabelle; Mallet-Ladeira, Sonia; Vicendo, Patricia; Farfán, Norberto; Santillan, Rosa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12721 - 12733
• a: 34.96 ± 0.004 Å
• b: 5.9306 ± 0.0007 Å
• c: 9.5911 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1988.6 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No