Information card for entry 4316963

Structure parameters

• Formula: C24 H21 Gd N10 O9
• Calculated formula: C24 H21 Gd N10 O9
• SMILES: C1c2[n](c3c(cccc3)[nH]2)[Gd]23456([N]1(Cc1[n]3c3c(cccc3)[nH]1)Cc1[n]4c3c(cccc3)[nH]1)([O]=N(=O)O2)([O]=N(=O)O5)ON(=[O]6)=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: 12.0415 ± 0.0007 Å
• b: 12.0415 ± 0.0007 Å
• c: 14.1138 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1772.29 ± 0.19 ų
• Cell temperature: 473 ± 2 K
• Ambient diffraction temperature: 473 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.1996
• 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: No
• Has Fobs: No