Information card for entry 7018246

Structure parameters

• Formula: C42 H30 N4 O11 Zn2
• Calculated formula: C42 H28 N4 O11 Zn2
• Title of publication: "Click" post-synthetic modification of metal-organic frameworks with chiral functional adduct for heterogeneous asymmetric catalysis.
• Authors of publication: Zhu, Wenting; He, Cheng; Wu, Pengyan; Wu, Xiao; Duan, Chunying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3072 - 3077
• a: 9.4392 ± 0.0007 Å
• b: 10.0591 ± 0.0007 Å
• c: 11.412 ± 0.0009 Å
• α: 100.489 ± 0.006°
• β: 106.83 ± 0.006°
• γ: 103.425 ± 0.006°
• Cell volume: 971.99 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No