Information card for entry 4088253

Structure parameters

• Formula: C28 H26 N2 O2 Ru2 S
• Calculated formula: C28 H26 N2 O2 Ru2 S
• SMILES: [Ru]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[cH]81)C(=N\NS(=O)(=O)c1ccc(cc1)C)\[c]12[cH]3[Ru]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Competitive NH···Ru/Fe Hydrogen Bonding in Ferrocenyl Ruthenocenyl Tosyl Hydrazone
• Authors of publication: Veit, Philipp; Prantl, Ephraim; Förster, Christoph; Heinze, Katja
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 249
• a: 7.4062 ± 0.0006 Å
• b: 11.3262 ± 0.0009 Å
• c: 29.215 ± 0.002 Å
• α: 90°
• β: 96.7005 ± 0.0017°
• γ: 90°
• Cell volume: 2433.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No