Information card for entry 7032761

Structure parameters

• Common name: H2NDC-NH2
• Chemical name: 1-aminonaphthalene-3,7-dicarboxylic acid
• Formula: C22 H27 N3 O6
• Calculated formula: C22 H27 N3 O6
• Title of publication: Gas adsorption properties of highly porous metal-organic frameworks containing functionalized naphthalene dicarboxylate linkers.
• Authors of publication: Sim, Jaeung; Yim, Haneul; Ko, Nakeun; Choi, Sang Beom; Oh, Youjin; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 48
• Pages of publication: 18017 - 18024
• a: 7.3194 ± 0.0007 Å
• b: 10.4461 ± 0.0011 Å
• c: 14.5397 ± 0.0015 Å
• α: 90°
• β: 98.358 ± 0.003°
• γ: 90°
• Cell volume: 1099.89 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No