Information card for entry 7706619

Structure parameters

• Formula: C20 H36 B2 O2 V2
• Calculated formula: C20 H33.604 B2 O2 V2
• Title of publication: Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study.
• Authors of publication: Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 4036 - 4044
• a: 7.7603 ± 0.0018 Å
• b: 14.896 ± 0.004 Å
• c: 10.661 ± 0.002 Å
• α: 90°
• β: 106.229 ± 0.009°
• γ: 90°
• Cell volume: 1183.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No