Information card for entry 1512721

Structure parameters

• Chemical name: Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumlutetiumate trihydrate
• Formula: C24 H42 Ca3 Lu2 O39
• Calculated formula: C24 H42 Ca3 Lu2 O39
• Title of publication: Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand
• Authors of publication: Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 196 - 202
• a: 26.3397 ± 0.0004 Å
• b: 26.3397 ± 0.0004 Å
• c: 26.3397 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18274 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 5
• Space group number: 228
• Hermann-Mauguin space group symbol: F d -3 c
• Hall space group symbol: -F 4ud 2vw 3
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No