Information card for entry 1550583

Structure parameters

• Common name: Potassium bis(2-methyllactato)borate hemihydrate
• Chemical name: Poly[aquabis[μ~3~-bis(2-methyllactato)borato]dipotassium] [K(C~8~H~12~BO~6~)(H~2~O)~0.5~]
• Formula: C8 H13 B K O6.5
• Calculated formula: C8 H13 B K O6.5
• Title of publication: Potassium bis(2-methyllactato)borate hemihydrate
• Authors of publication: Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: x190202
• a: 12.3919 ± 0.0007 Å
• b: 10.7917 ± 0.0006 Å
• c: 19.9794 ± 0.0012 Å
• α: 90°
• β: 103.138 ± 0.002°
• γ: 90°
• Cell volume: 2601.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes