Information card for entry 4319837

Structure parameters

• Formula: C18 H38 La2 N6 O28
• Calculated formula: C18 H36 La2 N6 O28
• SMILES: [La]123456([OH]C7CC([OH]1)CC([OH]2)C7)(ON(=[O]3)=O)(ON(=[O]4)=O)(ON(=[O]6)=O)ON(=[O]5)=O.[La]123456([OH]C7CC([OH]1)CC([OH]2)C7)([OH]C1CC([OH]3)CC([OH]4)C1)(ON(=[O]5)=O)ON(=[O]6)=O.O
• Title of publication: Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars
• Authors of publication: Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2953 - 2962
• a: 9.343 ± 0.0004 Å
• b: 19.9349 ± 0.0005 Å
• c: 10.3519 ± 0.0004 Å
• α: 90°
• β: 109.988 ± 0.001°
• γ: 90°
• Cell volume: 1811.92 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No