Information card for entry 2017977

Structure parameters

• Chemical name: Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate
• Formula: C6 H24 N14 O12 Zn
• Calculated formula: C6 H24 N14 O12 Zn
• SMILES: C(N)(=[O][Zn]([O]=C(N)N)([O]=C(N)N)([O]=C(N)N)([O]=C(N)N)[O]=C(N)N)N.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate at 110 and 250K: uniaxial negative thermal expansion
• Authors of publication: Smeets, Stef; Lutz, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m50 - m55
• a: 17.0337 ± 0.0006 Å
• b: 18.0092 ± 0.0005 Å
• c: 7.355 ± 0.0002 Å
• α: 90°
• β: 109.651 ± 0.002°
• γ: 90°
• Cell volume: 2124.84 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes