Information card for entry 1507898

Structure parameters

• Formula: C64 H82 Cl3 N8 Ni2 O37 Sm
• Calculated formula: C64 H76 Cl3 N8 Ni2 O37 Sm
• Title of publication: Syntheses, crystal structures and properties of lanthanide complexes featuring infinite molecular rectangle strands constructed from a new macrocyclic metalloligand
• Authors of publication: Wang, D; Niu, C J; Li, X Z; Zhu, L N; Hao, P P
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 391
• Pages of publication: 20 - 27
• a: 11.587 ± 0.002 Å
• b: 13.463 ± 0.003 Å
• c: 24.707 ± 0.005 Å
• α: 90°
• β: 98.95 ± 0.03°
• γ: 90°
• Cell volume: 3807.3 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No