Information card for entry 7106740

Structure parameters

• Formula: C26 H28 Mg N10 O4
• Calculated formula: C26 H28 Mg N10 O4
• SMILES: [Mg]12([n]3cccc(c3c3n1nc(n3)c1ccncc1)C)([n]1cccc(c1c1n2nc(n1)c1ccncc1)C)([OH2])[OH2].O.O
• Title of publication: Solvent/Additive-Free Synthesis of Porous/Zeolitic Metal Azolate Frameworks from Metal Oxide/Hydroxide
• Authors of publication: Jian-Bin Lin; Rui-Biao Lin; Xiao-Ning Cheng; Jie-Peng Zhang; Xiao-Ming Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9185
• a: 7.9467 ± 0.0005 Å
• b: 11.6001 ± 0.0008 Å
• c: 29.75 ± 0.002 Å
• α: 90°
• β: 92.939 ± 0.001°
• γ: 90°
• Cell volume: 2738.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No