Information card for entry 4316965

Structure parameters

• Formula: C24 H23 Er N10 O10
• Calculated formula: C24 H21 Er N10 O10
• SMILES: C1c2[n](c3c(cccc3)[nH]2)[Er]23456([N]1(Cc1[nH]c7ccccc7[n]31)Cc1[nH]c3ccccc3[n]41)(ON(=[O]2)=O)(ON(=[O]5)=O)ON(=[O]6)=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: 12.0072 ± 0.0004 Å
• b: 12.0072 ± 0.0004 Å
• c: 14.1282 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1764.01 ± 0.11 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: 0.0566
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No