Information card for entry 4336686

Structure parameters

• Formula: C48.6 H82.2 Cl4 N6 O10 Y3
• Calculated formula: C48.63 H79.52 Cl4 N6 O10 Y3
• Title of publication: Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks
• Authors of publication: Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12893 - 12903
• a: 14.036 ± 0.007 Å
• b: 14.916 ± 0.005 Å
• c: 14.725 ± 0.008 Å
• α: 90°
• β: 108.75 ± 0.05°
• γ: 90°
• Cell volume: 2919 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1302
• 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: Yes
• Has Fobs: No