Information card for entry 7008592

Structure parameters

• Common name: 03067a
• Formula: C16 H16 Cu N2 O6
• Calculated formula: C16 H16 Cu N2 O6
• Title of publication: Novel coordination polymers and structural systematics in the hydrothermal M,M' trans-3(-3-pyridyl)acrylic acid system.
• Authors of publication: Gunning, Noel S.; Cahill, Christopher L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 16
• Pages of publication: 2788 - 2792
• a: 7.4035 ± 0.0011 Å
• b: 12.2381 ± 0.0018 Å
• c: 8.932 ± 0.0013 Å
• α: 90°
• β: 106.19 ± 0.002°
• γ: 90°
• Cell volume: 777.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0836
• 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