Information card for entry 1551044

Structure parameters

• Formula: C20 H24 B2 Mn N4 S2
• Calculated formula: C20 H24 B2 Mn N4 S2
• 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: 10.179 ± 0.002 Å
• b: 15.499 ± 0.004 Å
• c: 15.438 ± 0.004 Å
• α: 90°
• β: 107.261 ± 0.003°
• γ: 90°
• Cell volume: 2325.9 ± 1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No