Information card for entry 4076162

Structure parameters

• Formula: C29 H33 F6 N2 O3 P Ru
• Calculated formula: C29 H33 F6 N2 O3 P Ru
• SMILES: [Ru]123456789([c]%10%11[c]5(N(C5(Oc%12c(C=C5)cc(N(=O)=O)cc%12)C%10(C)C)C)[cH]4[cH]3[cH]2[cH]1%11)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Photochromic Behavior and Diastereomeric Isomerism in [(η6-spirobenzopyran)RuCp*]PF6
• Authors of publication: Moriuchi, Akihiro; Uchida, Kazunori; Inagaki, Akiko; Akita, Munetaka
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 26
• Pages of publication: 6382
• a: 8.768 ± 0.002 Å
• b: 18.767 ± 0.004 Å
• c: 17.462 ± 0.003 Å
• α: 90°
• β: 93.71 ± 0.01°
• γ: 90°
• Cell volume: 2867.3 ± 1 ų
• Cell temperature: 213.2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.46
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No