Information card for entry 7210224

Structure parameters

• Formula: C55 H92 Ba2 N11 O57 V15
• Calculated formula: C55 H91.6 Ba2 N11 O57 V15
• Title of publication: Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains
• Authors of publication: Kastner, Katharina; Streb, Carsten
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 4948
• a: 12.24 ± 0.002 Å
• b: 13.285 ± 0.003 Å
• c: 33.139 ± 0.007 Å
• α: 98.09 ± 0.03°
• β: 91.58 ± 0.03°
• γ: 106.32 ± 0.03°
• Cell volume: 5107 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No