Information card for entry 4341677

Structure parameters

• Formula: C27 H54 As2 Mo18 N18 O68
• Calculated formula: C27 H54 As2 Mo18 N18 O68
• SMILES: O.O.O.O.O.O.[Mo]1234(O[Mo]567(O[Mo]89%10(O[Mo]%11%12(O[Mo]%13%14%15(=O)O[Mo]%16%17([O]%18[Mo]%19%20(O[Mo]%21%22%23([O]%24%25[As]%18([O]26)[O]2[Mo]6(O[Mo]%18%26([O]%27=[As]%28([O]%29%30[Mo]%31(O[Mo]%30(O9)(O[Mo]9%29(O%31)(O[Mo]%27(O[Mo]2(O%22)(O6)(O%20)=O)(O[Mo](O%14)([O]%15%28)(O9)(O%19)=O)(=O)O%26)=O)(O%18)=O)(O%13)(O%12)=O)[O]8%11)(O%10)=O)(O[Mo]%24(O[Mo]%25(O%21)(O3)(O%16)=O)(O5)(O%23)=O)(O7)=O)=O)(O%17)=O)(O4)=O)(O1)=O)=O)=O)=O.n1(ncnc1)CCCCCn1ncnc1.n1cnn(c1)CCCCCn1ncnc1.n1(cncn1)CCCCCn1ncnc1
• Title of publication: pH and Ligand Dependent Assembly of Well-Dawson Arsenomolybdate Capped Architectures.
• Authors of publication: Zhang, He; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Chunxiao; Sun, Di; Cai, Honghong; Chen, Zhaoyi; Zhou, Baibin
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141114084304005
• a: 13.174 ± 0.0005 Å
• b: 16.4284 ± 0.0007 Å
• c: 21.4212 ± 0.0009 Å
• α: 80.657 ± 0.001°
• β: 83.926 ± 0.001°
• γ: 69.03°
• Cell volume: 4265.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No