Information card for entry 7201100

Structure parameters

• Formula: C25 H28 N2 O5 Zn
• Calculated formula: C25 H28 N2 O5 Zn
• Title of publication: Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)
• Authors of publication: Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1800
• a: 7.4048 ± 0.0007 Å
• b: 17.8437 ± 0.0017 Å
• c: 18.2591 ± 0.0017 Å
• α: 90°
• β: 98.59 ± 0.001°
• γ: 90°
• Cell volume: 2385.5 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No