Information card for entry 7220880

Structure parameters

• Formula: C36 H28 Mo8 N8 O30
• Calculated formula: C36 H28 Mo8 N8 O30
• SMILES: c1c(cncc1)C(=O)Nc1ccc(NC(=O)c2cnccc2)cc1.O=[Mo]123([O]456[Mo]789(=O)[O]2[Mo]2%10(O[Mo]%11(O[Mo]%12%13([O]%14[Mo]4([O]32)(=O)(O[Mo]6(O[Mo]5%14([O]7%12)(=O)=O)(O1)(=O)=O)[O]9%10%11%13)(=O)=O)(=O)(O8)=O)(=O)=O)=O.c1c(cncc1)C(=O)Nc1ccc(NC(=O)c2cnccc2)cc1
• Title of publication: Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide
• Authors of publication: Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 37
• Pages of publication: 7038
• a: 8.273 ± 0.0009 Å
• b: 10.2826 ± 0.0012 Å
• c: 15.1195 ± 0.0017 Å
• α: 96.759 ± 0.002°
• β: 101.61 ± 0.002°
• γ: 105.668 ± 0.002°
• Cell volume: 1192.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No