Information card for entry 4350066

Structure parameters

• Formula: C108.6 H128 Er2 Mo2 N26 O35.4 P4
• Calculated formula: C108.6 H128 Er2 Mo2 N26 O35.4 P4
• Title of publication: Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)
• Authors of publication: Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2423
• a: 11.1793 ± 0.0003 Å
• b: 13.1976 ± 0.0004 Å
• c: 43.0696 ± 0.0013 Å
• α: 90°
• β: 91.918 ± 0.001°
• γ: 90°
• Cell volume: 6350.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No