Information card for entry 4083192

Structure parameters

• Chemical name: [RuCymQSe]
• Formula: C31 H41 N O Ru Se
• Calculated formula: C31 H41 N O Ru Se
• SMILES: [Ru]123456(Oc7c(N1c1c([Se]C)cccc1)cc(cc7C(C)(C)C)C(C)(C)C)[cH]1[cH]6[c]5([cH]4[cH]3[c]21C(C)C)C
• Title of publication: Structure and Spectroelectrochemical Response of Arene–Ruthenium and Arene–Osmium Complexes with Potentially Hemilabile Noninnocent Ligands
• Authors of publication: Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4973
• a: 29.939 ± 0.008 Å
• b: 10.65 ± 0.003 Å
• c: 22.214 ± 0.006 Å
• α: 90°
• β: 125.272 ± 0.006°
• γ: 90°
• Cell volume: 5783 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No