Information card for entry 4072123

Structure parameters

• Formula: C5 H20 B9 N S
• Calculated formula: C5 H20 B9 N S
• Title of publication: Iron and Cobalt Complexes with Thiacarborane Ligands
• Authors of publication: Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5273
• a: 18.4915 ± 0.0002 Å
• b: 6.7105 ± 0.0003 Å
• c: 10.2849 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1276.22 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No