Information card for entry 7053533

Structure parameters

• Formula: C112 H168 O10 Sr V2
• Calculated formula: C112 H168 O10 Sr V2
• SMILES: [V](c1c(C)cc(cc1C)C)(c1c(cc(cc1C)C)C)(c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C.[Sr]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1.[V](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C1CCCO1.C1CCCO1
• 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: 13.5257 ± 0.0014 Å
• b: 13.9195 ± 0.0012 Å
• c: 15.1196 ± 0.0017 Å
• α: 76.359 ± 0.006°
• β: 71.204 ± 0.004°
• γ: 88.437 ± 0.007°
• Cell volume: 2615.1 ± 0.5 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: 0.1774
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No