Information card for entry 4316966

Structure parameters

• Formula: C24 H27 N10 Nd O12
• Calculated formula: C24 H21 N10 Nd O12
• SMILES: c1ccc2[n]3[Nd]45678(ON(=[O]4)=O)([N](Cc3[nH]c2c1)(Cc1[n]5c2c(cccc2)[nH]1)Cc1[n]6c2c(cccc2)[nH]1)(ON(=[O]7)=O)ON(=[O]8)=O.O.O.O
• Title of publication: Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption
• Authors of publication: Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10166 - 10173
• a: 11.9877 ± 0.0004 Å
• b: 11.9877 ± 0.0004 Å
• c: 14.2824 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1777.48 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No