Information card for entry 1529456

Structure parameters

• Formula: C14 H13 N O5 Pb
• Calculated formula: C14 H13 N O5 Pb
• Title of publication: A new small molecule gelator and 3D framework ligator of lead(ii)
• Authors of publication: Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 42
• Pages of publication: 8139
• a: 19.0391 ± 0.0002 Å
• b: 19.0391 ± 0.0002 Å
• c: 8.0073 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2902.54 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No