Information card for entry 4319832

Structure parameters

• Formula: C12 H26 Ho N3 O16
• Calculated formula: C12 H26 Ho N3 O16
• SMILES: [Ho]12345([OH]C6CC([OH]1)CC([OH]2)C6)([OH]C1CC([OH]3)CC([OH]4)C1)(ON(=[O]5)=O)[OH2].O=N(=O)[O-].O=N(=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: 16.787 ± 0.005 Å
• b: 8.155 ± 0.002 Å
• c: 15.632 ± 0.006 Å
• α: 90°
• β: 107.69 ± 0.04°
• γ: 90°
• Cell volume: 2038.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No