Information card for entry 2219653

Structure parameters

• Chemical name: Aqua(3-carboxybenzoato-κ<i>O</i>^1^)(dipyrido[3,2-a:2',3'-c]phenazine- κ^2^<i>N</i>^4^,<i>N</i>^5^)(nitrato-κ<i>O</i>)copper(II)
• Formula: C26 H17 Cu N5 O8
• Calculated formula: C26 H17 Cu N5 O8
• SMILES: [Cu]1([n]2cccc3c4c(c5ccc[n]1c5c23)nc1c(cccc1)n4)(OC(=O)c1cccc(C(=O)O)c1)(ON(=O)=O)[OH2]
• Title of publication: Aqua(3-carboxybenzoato-κ<i>O</i>^1^)(nitrato-κ<i>O</i>)(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine-κ^2^<i>N</i>^4^,<i>N</i>^5^)copper(II)
• Authors of publication: An, Yan; Li, Xiao-Feng; Dong, Li-Hua; Yin, Yan-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1291 - m1292
• a: 7.8965 ± 0.0017 Å
• b: 11.295 ± 0.004 Å
• c: 14.533 ± 0.006 Å
• α: 112.73 ± 0.03°
• β: 90.94 ± 0.03°
• γ: 102.6 ± 0.02°
• Cell volume: 1159.4 ± 0.7 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: 0.1044
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes