Information card for entry 2236334

Structure parameters

• Chemical name: Poly[μ-aqua-diaquabis[μ-2-cyano-2-(oxidoimino)acetato]copper(II)dipotassium]
• Formula: C6 H6 Cu K2 N4 O9
• Calculated formula: C6 H6 Cu K2 N4 O9
• SMILES: [Cu]12(OC(=O)C(=N1=O)C#N)(OC(=O)C(=N2=O)C#N)[OH2].[K+].[K+].O.O
• Title of publication: Poly[μ-aqua-diaquabis[μ-2-cyano-2-(oxidoimino)acetato]copper(II)dipotassium]
• Authors of publication: Golenya, Irina A.; Izotova, Yulia A.; Usenko, Natalia I.; Kalibabchuk, Valentina A.; Kotova, Natalia V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1303 - m1304
• a: 8.767 ± 0.002 Å
• b: 12.426 ± 0.003 Å
• c: 13.159 ± 0.005 Å
• α: 90°
• β: 108.26 ± 0.03°
• γ: 90°
• Cell volume: 1361.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes