Information card for entry 7203710

Structure parameters

• Formula: C12 H10 Cu N4 O11
• Calculated formula: C12 H10 Cu N4 O11
• SMILES: [Cu]1(ON(=O)=O)([OH2])([n]2ccc(C(=O)O)cc2c2[n]1ccc(C(=O)O)c2)ON(=O)=O
• Title of publication: The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]
• Authors of publication: Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 90
• a: 6.4404 ± 0.0004 Å
• b: 9.7045 ± 0.0006 Å
• c: 13.6309 ± 0.0008 Å
• α: 76.339 ± 0.001°
• β: 84.205 ± 0.001°
• γ: 78.894 ± 0.001°
• Cell volume: 810.96 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No