Information card for entry 7052718

Structure parameters

• Formula: C30 H37 Cl F6 N3 O2 P Ru S2
• Calculated formula: C30 H37 Cl F6 N3 O2 P Ru S2
• Title of publication: Synthesis and photochromic studies of η6-mesitylene ruthenium(ii) complexes bearing N-heterocyclic carbene ligands with the dithienylethene moiety
• Authors of publication: Duan, Gongping; Wong, Wing-Tak; Yam, Vivian Wing-Wah
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2267
• a: 17.267 ± 0.003 Å
• b: 14.598 ± 0.002 Å
• c: 31.643 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7976 ± 2 ų
• Cell temperature: 305 ± 2 K
• Ambient diffraction temperature: 305 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1467
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.2715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No