Information card for entry 4340928

Structure parameters

• Formula: C9 H10 Cr0.75 N3 O4
• Calculated formula: C9 H10.5 Cr0.75 N3 O4
• 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: 13.754 ± 0.018 Å
• b: 22.76 ± 0.03 Å
• c: 12.175 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3811 ± 8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.2725
• Weighted residual factors for all reflections included in the refinement: 0.297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No