Information card for entry 4124529

Structure parameters

• Formula: C18 H11 N3 O6 Zn
• Calculated formula: C18 H11 N3 O6 Zn
• Title of publication: Control of Molecular Rotor Rotational Frequencies in Porous Coordination Polymers Using a Solid-Solution Approach.
• Authors of publication: Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 38
• Pages of publication: 12183 - 12186
• a: 10.142 ± 0.002 Å
• b: 10.2709 ± 0.0018 Å
• c: 10.7349 ± 0.0019 Å
• α: 65.643 ± 0.01°
• β: 77.088 ± 0.01°
• γ: 80.17 ± 0.012°
• Cell volume: 989 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.166
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2699
• Weighted residual factors for all reflections included in the refinement: 0.3141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No