Information card for entry 7210225

Structure parameters

• Formula: C24 H54 Ba2 N8 O36 V10
• Calculated formula: C24 H54 Ba2 N8 O36 V10
• 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: 11.34 ± 0.002 Å
• b: 11.638 ± 0.002 Å
• c: 12.492 ± 0.003 Å
• α: 104.74 ± 0.03°
• β: 103.04 ± 0.03°
• γ: 107.93 ± 0.03°
• Cell volume: 1431.8 ± 0.7 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: 0.077
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No