Information card for entry 8102486

Structure parameters

• Formula: C19 H18 Cu N2 O7
• Calculated formula: C19 H18 Cu N2 O7
• Title of publication: Crystal structure of monoaqua-(5-methoxyisophthalato)-(2,2'-bipyridyl)copper(II) monohydrate, Cu(H2O)(C9H8O5)(C10H8N2) · H2O
• Authors of publication: Gui-Lin Wen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 497
• a: 7.3613 ± 0.0011 Å
• b: 10.1279 ± 0.0015 Å
• c: 12.6837 ± 0.0019 Å
• α: 80.165 ± 0.002°
• β: 89.7 ± 0.002°
• γ: 79.096 ± 0.002°
• Cell volume: 914.5 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No