Information card for entry 4512428

Structure parameters

• Formula: C90 H100 B3 La N10 O22
• Calculated formula: C90 H100 B3 La N10 O22
• SMILES: c12c3c(cc4ccccc14)O[B]1(O3)Oc3c(c4c5c(cc6ccccc46)O[B]4(Oc6c(c7c8c(cc9ccccc79)O[B]7(Oc9c2c2c(cc9O7)cccc2)O8)c2c(cc6O4)cccc2)O5)c2c(cc3O1)cccc2.C(N(C)C)=[O][La]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.C(=O)N(C)C
• 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: 14.596 ± 0.003 Å
• b: 18.269 ± 0.004 Å
• c: 19.118 ± 0.004 Å
• α: 85.26 ± 0.03°
• β: 74.4 ± 0.03°
• γ: 68.06 ± 0.03°
• Cell volume: 4554 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No