Information card for entry 4513422

Structure parameters

• Chemical name: di(mu-cyanoacetato)-mu-pyrazinecopper(II)
• Formula: C10 H8 Cu N4 O4
• Calculated formula: C10 H8 Cu N4 O4
• Title of publication: A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties
• Authors of publication: Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3804
• a: 4.8966 ± 0.0001 Å
• b: 13.378 ± 0.0004 Å
• c: 17.6679 ± 0.0005 Å
• α: 90°
• β: 101.794 ± 0.001°
• γ: 90°
• Cell volume: 1132.93 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0731
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No