Information card for entry 7048694

Structure parameters

• Formula: C29 H35 B Ir N8 O P S2
• Calculated formula: C29 H35 B Ir N8 O P 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: 13.4693 ± 0.0002 Å
• b: 14.5628 ± 0.0002 Å
• c: 16.6475 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3265.42 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No