Information card for entry 7221607

Structure parameters

• Formula: C23 H26 N4 O7 Zn
• Calculated formula: C23 H26 N4 O7 Zn
• Title of publication: Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation
• Authors of publication: Kumar, Sandeep; Mandal, Sanjay K.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 46
• Pages of publication: 8801
• a: 8.7542 ± 0.0008 Å
• b: 16.4242 ± 0.0015 Å
• c: 15.9879 ± 0.0015 Å
• α: 90°
• β: 91.709 ± 0.002°
• γ: 90°
• Cell volume: 2297.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No