Information card for entry 7053532

Structure parameters

• Formula: C112 H168 Ca O10 V2
• Calculated formula: C112 H168 Ca O10 V2
• Title of publication: Organic heterobimetallic complexes of the alkaline earth metals (Ae = Ca, Sr, Ba) with tetrahedral metallate anions of three-valent metals (M = B, Al, Ga, and V)
• Authors of publication: Langer, Jens; Krieck, Sven; Görls, Helmar; Kreisel, Günter; Seidel, Wolfgang; Westerhausen, Matthias
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1667
• a: 13.5165 ± 0.0008 Å
• b: 13.9755 ± 0.0006 Å
• c: 14.965 ± 0.0007 Å
• α: 76.564 ± 0.003°
• β: 71.192 ± 0.003°
• γ: 88.512 ± 0.003°
• Cell volume: 2599 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No