Information card for entry 7018665

Structure parameters

• Formula: C23 H24 Cl2 N6 O9 Zn
• Calculated formula: C23 H24 Cl2 N6 O9 Zn
• Title of publication: Chelation-controlled molecular morphology: aminal to imine rearrangements.
• Authors of publication: Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4335 - 4357
• a: 9.675 ± 0.0003 Å
• b: 15.5878 ± 0.0005 Å
• c: 17.8081 ± 0.0006 Å
• α: 90°
• β: 93.557 ± 0.002°
• γ: 90°
• Cell volume: 2680.5 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0585
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No