Information card for entry 4504045

Structure parameters

• Formula: C2 H8 N2 O3 W
• Calculated formula: C2 H8 N2 O3 W
• 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: 11.101 ± 0.002 Å
• b: 7.2843 ± 0.0015 Å
• c: 7.5086 ± 0.0015 Å
• α: 90°
• β: 94.49 ± 0.03°
• γ: 90°
• Cell volume: 605.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.1949
• 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