Information card for entry 7202775

Structure parameters

• Formula: C6 H6 Cu N O4
• Calculated formula: C6 H6 Cu N O4
• Title of publication: Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers
• Authors of publication: Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 478
• a: 6.2854 ± 0.0002 Å
• b: 16.4373 ± 0.0006 Å
• c: 7.0129 ± 0.0002 Å
• α: 90°
• β: 92.594 ± 0.002°
• γ: 90°
• Cell volume: 723.8 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No