Information card for entry 4512433

Structure parameters

• Formula: C94.41 H110.29 B3 Er N11.47 O23.47
• Calculated formula: C94.413 H110.297 B3 Er N11.471 O23.471
• Title of publication: Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl
• Authors of publication: Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 384
• a: 14.8047 ± 0.0008 Å
• b: 15.1935 ± 0.0009 Å
• c: 24.0208 ± 0.0014 Å
• α: 75.477 ± 0.001°
• β: 77.533 ± 0.001°
• γ: 66.128 ± 0.001°
• Cell volume: 4742.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No