Information card for entry 2015969

Structure parameters

• Chemical name: Octakis(ε-caprolactam-κO)erbium(III) hexaisothiocyanatochromate(III)
• Formula: C54 H88 Cr Er N14 O8 S6
• Calculated formula: C54 H88 Cr Er N14 O8 S6
• Title of publication: Octakis(ε-caprolactam-κ<i>O</i>)erbium(III) hexaisothiocyanatochromate(III)
• Authors of publication: Elisaveta V. Cherkasova; Eugenia V. Peresypkina; Alexander V. Virovets; Nina V. Podberezskaya; Tatyana G. Cherkasova
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m195 - m198
• a: 39.627 ± 0.002 Å
• b: 22.3406 ± 0.0011 Å
• c: 23.7155 ± 0.001 Å
• α: 90°
• β: 107.687 ± 0.002°
• γ: 90°
• Cell volume: 20002.7 ± 1.7 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes