Information card for entry 4512431

Structure parameters

• Formula: C94.26 H109.95 B3 N11.42 O23.42 Tb
• Calculated formula: C94.269 H109.961 B3 N11.423 O23.423 Tb
• 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: 14.8384 ± 0.0016 Å
• b: 15.1755 ± 0.0016 Å
• c: 24.032 ± 0.003 Å
• α: 75.638 ± 0.001°
• β: 77.766 ± 0.001°
• γ: 66.201 ± 0.001°
• Cell volume: 4758.3 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0458
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No