Information card for entry 2007260

Structure parameters

• Formula: C42 H100 Al2 Er2 O14
• Calculated formula: C42 H100 Al2 Er2 O14
• SMILES: [Al]1([O](C(C)C)[Er]2([O](C(C)C)[Er]3([O](C(C)C)[Al]([O]3C(C)C)(OC(C)C)OC(C)C)([O]2C(C)C)([OH]C(C)C)OC(C)C)([O]1C(C)C)([OH]C(C)C)OC(C)C)(OC(C)C)OC(C)C
• Title of publication: [Er~2~Al~2~(O^<i>i^</i>Pr)~12~(HO^<i>i^</i>Pr)~2~], a Novel Heterobimetallic Alkoxide
• Authors of publication: Kritikos, Mikael; Wijk, Maria; Westin, Gunnar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 576 - 578
• a: 10.797 ± 0.003 Å
• b: 11.933 ± 0.003 Å
• c: 12.939 ± 0.003 Å
• α: 82.457 ± 0.001°
• β: 66.762 ± 0.001°
• γ: 70.985 ± 0.001°
• Cell volume: 1448.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No