Information card for entry 7106574

Structure parameters

• Formula: C18 H12 N2 O4 Zn
• Calculated formula: C18 H12 N2 O4 Zn
• Title of publication: Differences of crystal structure and dynamics between a soft porous nanocrystal and a bulk crystal
• Authors of publication: Yuh Hijikata; Satoshi Horike; Daisuke Tanaka; Juergen Groll; Motohiro Mizuno; Jungeun Kim; Masaki Takata; Susumu Kitagawa
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7632
• a: 8.9568 ± 0.0018 Å
• b: 10.087 ± 0.002 Å
• c: 10.1225 ± 0.0019 Å
• α: 78.209 ± 0.009°
• β: 73.265 ± 0.008°
• γ: 79.154 ± 0.009°
• Cell volume: 849.1 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No