Information card for entry 4330369

Structure parameters

• Formula: C70 H82 O14 Sr
• Calculated formula: C70 H82 O14 Sr
• SMILES: [Sr]1234([OH]c5cccc6CC([O]1c56)(C)C)([OH]c1cccc5CC([O]2c15)(C)C)([OH]c1cccc2CC([O]3c12)(C)C)[OH]c1cccc2CC([O]4c12)(C)C.[O-]c1cccc2CC(Oc12)(C)C.[O-]c1cccc2CC(Oc12)(C)C.Oc1cccc2CC(Oc12)(C)C
• Title of publication: Synthesis of Functionalized Materials Using Aryloxo-Organometallic Compounds toward Spinel-like MM'2O4 (M = Ba2+, Sr2+; M' = In3+, Al3+) Double Oxides
• Authors of publication: Łukasz John; Magdalena Kosińska-Klähn; Lucjan B. Jerzykiewicz; Leszek Kępiński; Piotr Sobota
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9820 - 9832
• a: 20.157 ± 0.005 Å
• b: 14.714 ± 0.004 Å
• c: 21.812 ± 0.005 Å
• α: 90°
• β: 98.99 ± 0.03°
• γ: 90°
• Cell volume: 6390 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No