Information card for entry 4076161

Structure parameters

• Formula: C30 H36 F6 N O2 P Ru
• Calculated formula: C30 H36 F6 N O2 P Ru
• SMILES: [Ru]123456789([c]%10%11[cH]1[cH]2[cH]3[cH]4[c]5%11N(C1(Oc2c(C=C1)cc(OC)cc2)C%10(C)C)C)[c]1([c]9([c]8([c]7([c]61C)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: 8.733 ± 0.001 Å
• b: 18.407 ± 0.004 Å
• c: 18.103 ± 0.004 Å
• α: 90°
• β: 93.03 ± 0.01°
• γ: 90°
• Cell volume: 2906 ± 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: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.77
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No