Information card for entry 1551034

Structure parameters

• Formula: C24 H32 B3 P Zn
• Calculated formula: C24 H32 B3 P Zn
• SMILES: [Zn]123([H][BH2][H]1)([H][BH2][H]2)[H][BH2][H]3.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 7.6808 ± 0.0003 Å
• b: 25.6538 ± 0.001 Å
• c: 12.9991 ± 0.0004 Å
• α: 90°
• β: 99.342 ± 0.003°
• γ: 90°
• Cell volume: 2527.39 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No