Information card for entry 4503810

Structure parameters

• Formula: C5 H9 Cu N2 O5
• Calculated formula: C5 H9 Cu N2 O5
• Title of publication: Multicopper(II) Pyromellitate Compounds: Self-Assembly Synthesis, Structural Topologies, and Magnetic Features
• Authors of publication: Karabach, Yauhen Y.; Kirillov, Alexander M.; Haukka, Matti; Sanchiz, Joaquin; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 4100
• a: 7.2921 ± 0.0006 Å
• b: 7.5161 ± 0.0007 Å
• c: 7.6282 ± 0.0005 Å
• α: 88.9 ± 0.005°
• β: 78.627 ± 0.006°
• γ: 80.188 ± 0.004°
• Cell volume: 403.84 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No