Information card for entry 4340929

Structure parameters

• Formula: C2 H Cl0.25 Cr0.25 N2 O0.08
• Calculated formula: C2 H Cl0.25 Cr0.25 N2 O0.0833333
• 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: 16.636 ± 0.009 Å
• b: 16.636 ± 0.009 Å
• c: 21.933 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5257 ± 5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No