Information card for entry 4337329

Structure parameters

• Common name: data
• Formula: C11 H18 Cl2 Cu N4 O5
• Calculated formula: C11 H18 Cl2 Cu N4 O5.008
• Title of publication: Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.
• Authors of publication: Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1406 - 1416
• a: 11.454 ± 0.005 Å
• b: 8.985 ± 0.004 Å
• c: 18.166 ± 0.006 Å
• α: 90°
• β: 122.113 ± 0.019°
• γ: 90°
• Cell volume: 1583.5 ± 1.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 493 ± 2 K
• Number of distinct elements: 6
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No