Information card for entry 2212598

Structure parameters

• Chemical name: Cyclohexane-1,4-diammonium tetrahydroxotetraborate 2.5-hydrate
• Formula: C6 H25 B4 N4 O11.5
• Calculated formula: C6 H25 B4 N2 O11.5
• Title of publication: Cyclohexane-1,4-diammonium tetrahydroxotetraborate 2.5-hydrate
• Authors of publication: Chun-Yang Pan; Guo-Ming Wang; Shou-Tian Zheng; Guo-Yu Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1207 - o1209
• a: 8.3581 ± 0.0004 Å
• b: 9.9625 ± 0.0005 Å
• c: 10.8064 ± 0.0002 Å
• α: 110.517 ± 0.003°
• β: 108.38 ± 0.002°
• γ: 96.47 ± 0.005°
• Cell volume: 774.13 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes