Information card for entry 4341502

Structure parameters

• Formula: C24 H20 B Hg I3 N4 O S5
• Calculated formula: C24 H20 B Hg I3 N4 O S5
• 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: 9.6385 ± 0.0007 Å
• b: 12.7847 ± 0.0008 Å
• c: 16.1011 ± 0.001 Å
• α: 98.895 ± 0.005°
• β: 105.408 ± 0.006°
• γ: 105.274 ± 0.006°
• Cell volume: 1790.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No