Information card for entry 7048695

Structure parameters

• Formula: C34 H42 B N12 O P Ru S3
• Calculated formula: C33.9966 H42 B N11.988 O0.9999 P Ru0.9999 S2.9997
• 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: 14.0341 ± 0.0004 Å
• b: 14.0341 ± 0.0004 Å
• c: 34.1262 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5820.9 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.1257
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0587
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No