Information card for entry 4508152

Structure parameters

• Formula: C19 H19 Ag Mo12 N9 O42 P
• Calculated formula: C19 H19 Ag Mo12 N9 O42 P
• SMILES: [Ag]12([O]3[Mo]456(=O)O[Mo]789(O[Mo]%10%113(=O)O[Mo]3%12%13(O[Mo]%14%15(O7)(=O)O[Mo]7%16(O[Mo]%17%18%19(O[Mo]%20(O%14)(O3)(=O)O[Mo]3%14(=O)(O[Mo]%21(O[Mo]%22(O3)(=O)(O[Mo](O%18)(=O)(O7)(O5)[O]%16%19=P([O]69%11)([O]%13%15%20)[O]%14%21%22)O4)(=O)(O%12)O%10)O%17)=O)(=O)O8)=O)=O)[n]3c(c4[n]1c([nH]n4)c1cc[nH+]cc1)cccc3c1[n]2c([nH]n1)c1cc[nH+]cc1.O.O
• Title of publication: Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand
• Authors of publication: Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4305
• a: 30.2207 ± 0.0017 Å
• b: 18.7391 ± 0.001 Å
• c: 17.5365 ± 0.001 Å
• α: 90°
• β: 102.794 ± 0.001°
• γ: 90°
• Cell volume: 9684.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No