Information card for entry 4341506

Structure parameters

• Formula: C24 H56 Bi4 I12 N8 O8
• Calculated formula: C24 H49 Bi4 I12 N8 O8
• Title of publication: The stability of mercaptobenzothiazole based soft scorpionate complexes.
• Authors of publication: Rajasekharan-Nair, Rajeev; Moore, Dean; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10276 - 10282
• a: 15.1874 ± 0.0014 Å
• b: 30.9071 ± 0.0018 Å
• c: 15.8134 ± 0.0015 Å
• α: 90°
• β: 117.846 ± 0.012°
• γ: 90°
• Cell volume: 6563.3 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No