Information card for entry 4337334

Structure parameters

• Common name: ZnpHP
• Formula: C11 H18 Cl2 N4 O5 Zn
• Calculated formula: C11 H18 Cl2 N4 O5 Zn
• 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: 11.5092 ± 0.0005 Å
• b: 9.0075 ± 0.0004 Å
• c: 15.4711 ± 0.0007 Å
• α: 90°
• β: 97.41 ± 0.002°
• γ: 90°
• Cell volume: 1590.48 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 373.15 K
• Number of distinct elements: 6
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No