Information card for entry 7033247

Structure parameters

• Formula: C25 H25 N5 O6
• Calculated formula: C25 H25 N5 O6
• SMILES: OC(=O)c1ccc(Nc2nc3ccccc3nc2Nc2ccc(cc2)C(=O)O)cc1.CN(C)C=O.O
• Title of publication: Two chelating-amino-functionalized lanthanide metal-organic frameworks for adsorption and catalysis.
• Authors of publication: Zhu, Yu; Wang, Yanmei; Liu, Pan; Xia, Changkun; Wu, Yunlong; Lu, Xiaoqing; Xie, Jimin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1955 - 1961
• a: 9.826 ± 0.002 Å
• b: 11.358 ± 0.002 Å
• c: 11.609 ± 0.002 Å
• α: 66.07 ± 0.03°
• β: 84.95 ± 0.03°
• γ: 78.63 ± 0.03°
• Cell volume: 1161 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No