Information card for entry 4512430

Structure parameters

• Formula: C92.24 H105.21 B3 N10.74 O22.75 Y
• Calculated formula: C92.253 H105.257 B3 N10.751 O22.751 Y
• 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: 14.7857 ± 0.001 Å
• b: 15.1728 ± 0.0011 Å
• c: 23.9999 ± 0.0017 Å
• α: 75.508 ± 0.001°
• β: 77.676 ± 0.001°
• γ: 66.182 ± 0.001°
• Cell volume: 4730.3 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0878
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2146
• 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