Information card for entry 1520435

Structure parameters

• Formula: C7.5 H9.5 N4.5 O0.5 Zn
• Calculated formula: C7.5 H9.5 N4.5 O0.5 Zn
• Title of publication: C7.5H9.5N4.5O0.5Zn
• Authors of publication: Cheetham, A.K.; Bennett, T.D.; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 625
• a: 15.5741 ± 0.0006 Å
• b: 14.8047 ± 0.0004 Å
• c: 18.4602 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4256.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No