Information card for entry 7044478

Structure parameters

• Formula: B4 H24 N4 O13 Zn
• Calculated formula: B4 H24 N4 O13 Zn
• SMILES: [Zn]([NH3])([NH3])([NH3])[NH3].O1[B]2(O)OB(O)O[B]1(O)OB(O2)O.O.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: 15.0796 ± 0.0009 Å
• b: 11.8853 ± 0.0005 Å
• c: 16.7606 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3003.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No