Information card for entry 4103470

Structure parameters

• Formula: C76 H74 B3 K N6 O18
• Calculated formula: C76 H74 B3 K N6 O18
• SMILES: O.[K]12345([O]6c7c8c9c%10c(cc%11c9cccc%11)O[B]9([O]1c1c(c%11c%12c(cc%13c%11cccc%13)O[B]%11([O]2%12)[O]3c2c(c3c%12c(cc%13c3cccc%13)O[B]6([O]5%12)Oc7cc3c8cccc3)c3c(cc2O%11)cccc3)c2ccccc2cc1O9)[O]4%10)([O]=CN(C)C)[O]=CN(C)C.C[NH2+]C.C(=O)N(C)C.C(=O)N(C)C.C[NH2+]C.O
• Title of publication: Assembly Modulation by Adjusting Countercharges of Heterobimetallic Supramolecular Polymers Composed of Tris(spiroborate) Twin Bowls
• Authors of publication: Hiroshi Danjo; Kadzuya Hirata; Masanori Noda; Susumu Uchiyama; Kiichi Fukui; Masatoshi Kawahata; Isao Azumaya; Kentaro Yamaguchi; Toshifumi Miyazawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15556 - 15558
• a: 14.5849 ± 0.0011 Å
• b: 16.2575 ± 0.0012 Å
• c: 18.6167 ± 0.0014 Å
• α: 83.672 ± 0.001°
• β: 77.027 ± 0.001°
• γ: 67.087 ± 0.001°
• Cell volume: 3960.9 ± 0.5 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: 0.1845
• Residual factor for significantly intense reflections: 0.1471
• Weighted residual factors for significantly intense reflections: 0.4174
• Weighted residual factors for all reflections included in the refinement: 0.4483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No