Information card for entry 1551037

Structure parameters

• Formula: C17 H20 B2 Mn N4
• Calculated formula: C17 H20 B2 Mn N4
• Title of publication: Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation
• Authors of publication: Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 9.679 ± 0.002 Å
• b: 17.812 ± 0.004 Å
• c: 11.672 ± 0.003 Å
• α: 90°
• β: 96.918 ± 0.003°
• γ: 90°
• Cell volume: 1997.6 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No