Information card for entry 7209801

Structure parameters

• Formula: C127.5 H128 As4 O4 V8
• Calculated formula: C127.49 H127.98 As4 O4 V8
• Title of publication: Intermolecular hydrogen bonds directed tetramer and intramolecular electronic communication: paramagnetic di([5]trovacenyl)arsinous acid
• Authors of publication: Elschenbroich, Christoph; Lu, Feng; Harms, Klaus; Pietzonka, Clemens
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3525
• a: 34.1862 ± 0.0007 Å
• b: 20.4477 ± 0.0003 Å
• c: 34.3172 ± 0.001 Å
• α: 90°
• β: 108.802 ± 0.002°
• γ: 90°
• Cell volume: 22708.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No