Information card for entry 7203002

Structure parameters

• Formula: C9 H14 N3 Nd O10 S3
• Calculated formula: C9 H14 N3 Nd O10 S3
• Title of publication: Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand
• Authors of publication: Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1051
• a: 8.8368 ± 0.0018 Å
• b: 14.529 ± 0.003 Å
• c: 15.467 ± 0.003 Å
• α: 90°
• β: 121.3 ± 0.03°
• γ: 90°
• Cell volume: 1696.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No