Information card for entry 7044477

Structure parameters

• Formula: B4 H15 N3 O10 Zn
• Calculated formula: B4 H15 N3 O10 Zn
• SMILES: [Zn]([NH3])([NH3])([NH3])[O]1[B]2(O)OB(O[B]1(O)OB(O2)O)O.O
• Title of publication: Synthesis, structural characterization and scalable preparation of new amino-zinc borates.
• Authors of publication: Imer, Marcos Ramón; González, Mariana Estefani; Veiga, Nicolás; Kremer, Carlos; Suescun, Leopoldo; Arizaga, Livia
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.215 ± 0.004 Å
• b: 7.845 ± 0.003 Å
• c: 12.172 ± 0.004 Å
• α: 90°
• β: 107.323 ± 0.015°
• γ: 90°
• Cell volume: 1113.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No