Information card for entry 8105390

Structure parameters

• Formula: C34 H57 B Br6 N6 O4 V2
• Calculated formula: C34 H57 B Br6 N6 O4 V2
• SMILES: Brc1cn2[n]([V]345([Br][V]([Br]3)([Br]4)([O]3CCCC3)([O]3CCCC3)[O]3CCCC3)[n]3n(cc(Br)c3C(C)C)[BH]2n2[n]5c(c(Br)c2)C(C)C)c1C(C)C.C1CCCO1
• Title of publication: Preparation and crystal structure of a non-symmetrical vanadium(II) dimer: tri-μ2-bromido-(hydrogen-tris(3-isopropyl-4-bromopyrazol-1-yl)borato-κ3 N,N′,N′′)-tris(tetrahydrofuran-κO)divanadium(II) – tetrahydrofuran (1/1), C34H57BBr6N6O4V2
• Authors of publication: Bonitatibus, Peter J.; Armstrong, William H.; Reiss, Guido J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1101 - 1103
• a: 17.198 ± 0.002 Å
• b: 12.9497 ± 0.0011 Å
• c: 20.496 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4564.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No