Information card for entry 7048696

Structure parameters

• Formula: C48 H51 B N8 O1.5 P2 Ru S2
• Calculated formula: C48 H51 B N8 O1.5 P2 Ru S2
• Title of publication: 5-Mercaptotetrazolyl-derived metallaboratranes.
• Authors of publication: Hill, Anthony F.; Schwich, Torsten; Xiong, Yaoyao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 2367 - 2376
• a: 20.6419 ± 0.0002 Å
• b: 10.348 ± 0.0001 Å
• c: 24.609 ± 0.0003 Å
• α: 90°
• β: 112.109 ± 0.0006°
• γ: 90°
• Cell volume: 4870.01 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections: 0.1704
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9671
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No