Information card for entry 7703151

Structure parameters

• Formula: C30 H72 Cu10 Fe2 N34 Nd2 O52
• Calculated formula: C30 H72 Cu10 Fe2 N34 Nd2 O52
• Title of publication: Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.
• Authors of publication: Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1955 - 1962
• a: 10.4494 ± 0.0004 Å
• b: 13.3443 ± 0.0007 Å
• c: 16.2694 ± 0.0007 Å
• α: 72.74 ± 0.004°
• β: 86.532 ± 0.003°
• γ: 74.166 ± 0.004°
• Cell volume: 2083.72 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No