Information card for entry 4502370

Structure parameters

• Common name: ‘Zinc-Borate’
• Formula: C3 H14 B4 N2 O9 Zn
• Calculated formula: C3 H14 B4 N2 O9 Zn
• Title of publication: [B4O9H2] Cyclic Borate Units as the Building Unit in a Family of Zinc Borate Structures
• Authors of publication: Paul, Avijit Kumar; Sachidananda, K.; Natarajan, Srinivasan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 456
• a: 10.678 ± 0.0003 Å
• b: 7.9509 ± 0.0002 Å
• c: 13.6214 ± 0.0003 Å
• α: 90°
• β: 108.165 ± 0.001°
• γ: 90°
• Cell volume: 1098.82 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No