Information card for entry 7201175

Structure parameters

• Formula: C9 H6 Cu N4 O3
• Calculated formula: C9 H6 Cu N4 O3
• Title of publication: [Cu(N3)(p-CPA)]n: a two dimensional network exhibiting spin reorientation
• Authors of publication: Kostakis, George E.; Chandra Mondal, Kartik; Abbas, Ghulam; Lan, Yanhua; Novitchi, Ghenadie; Buth, Gernot; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2084
• a: 11.4821 ± 0.0011 Å
• b: 6.3061 ± 0.0006 Å
• c: 14.7581 ± 0.0014 Å
• α: 90°
• β: 107.368 ± 0.002°
• γ: 90°
• Cell volume: 1019.87 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No