Information card for entry 4340930

Structure parameters

• Formula: C2.25 H Cr0.25 N2 O0.25
• Calculated formula: C2.25 H Cr0.25 N2 O0.25
• Title of publication: Synthesis and porous properties of chromium azolate porous coordination polymers.
• Authors of publication: Kongpatpanich, Kanokwan; Horike, Satoshi; Sugimoto, Masayuki; Fukushima, Tomohiro; Umeyama, Daiki; Tsutsumi, Yosuke; Kitagawa, Susumu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9870 - 9875
• a: 20.949 ± 0.008 Å
• b: 6.507 ± 0.002 Å
• c: 16.4 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2235.6 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2878
• Weighted residual factors for all reflections included in the refinement: 0.2954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No