Information card for entry 4509567

Structure parameters

• Formula: C26 H32 Mo8 N4 O26
• Calculated formula: C26 H28 Mo8 N4 O26
• SMILES: c1cc(ccn1)CCCc1ccncc1.[O]1234[Mo]567([O]8[Mo]9%10(=O)([O]%11%125[Mo]5%131(O[Mo]2(O[Mo]48(=O)(=O)[O]%10%13)(=O)(O[Mo]13(=O)(=O)[O]5[Mo]%12(O[Mo]%11(=O)(O6)(O9)=O)(=O)(=O)[O]71)=O)=O)=O)=O.c1cc(ccn1)CCCc1ccncc1
• Title of publication: Base-Directed Self-Assembly of Octamolybdate-Based Frameworks Decorated by Flexible N-Containing Ligands
• Authors of publication: Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 4116
• a: 10.46 ± 0.002 Å
• b: 9.974 ± 0.002 Å
• c: 19.618 ± 0.004 Å
• α: 90°
• β: 100.79 ± 0.03°
• γ: 90°
• Cell volume: 2010.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No