Information card for entry 1551042

Structure parameters

• Formula: C13 H22 B2 N2 Zn
• Calculated formula: C13 H22 B2 N2 Zn
• 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: 5.2876 ± 0.0003 Å
• b: 10.9187 ± 0.0007 Å
• c: 12.7971 ± 0.0007 Å
• α: 91.996 ± 0.005°
• β: 90.216 ± 0.005°
• γ: 94.748 ± 0.005°
• Cell volume: 735.83 ± 0.07 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No