Information card for entry 4504044

Structure parameters

• Formula: C2 H11 B5 N2 O9
• Calculated formula: C2 H11 B5 N2 O9
• Title of publication: Synthesis and Structure of [C2H10N2][B5O8(OH)]: A Nonmetal Pentaborate with Nonlinear Optical Properties
• Authors of publication: Yang, Sihai; Li, Guobao; Tian, Shujian; Liao, Fuhui; Lin, Jianhua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1246 - 1250
• a: 6.7085 ± 0.0013 Å
• b: 11.437 ± 0.002 Å
• c: 12.53 ± 0.003 Å
• α: 90°
• β: 95.41 ± 0.03°
• γ: 90°
• Cell volume: 957.1 ± 0.3 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: 0.0325
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No