Information card for entry 4319983

Structure parameters

• Formula: C37 H82 N6 Na O25 S3 V6
• Calculated formula: C37 H69 N6 Na0.5 O25 S3 V6
• SMILES: [V]1234(=O)[O]5CC[N]2(CCO)CC[O]26[Na]789%10[O]%11%12[V]%13(=O)([O]1CC[N]%13(CCO)CC%12)([O]1[V]%12%13%11(=O)[O]7(CC[N]%12(CCO)CC1)[V]12(=O)([O]%13CC[N]1(CCO)CCO)[O]1[V]276(=O)[O]9([V]695(=O)[O]2CC[N]9(CCO)CC[O]4%106)CC[N]7(CCO)CC1)[O]38.OC.SSSSSS
• Title of publication: Vanadium, Molybdenum, and Sodium Triethanolamine Complexes Derived from an Assembly System Containing Tetrathiometalate and Triethanolamine
• Authors of publication: Yihui Chen; Qiutian Liu; Yuheng Deng; Hongping Zhu; Changneng Chen; Hongjun Fan; Daizheng Liao; Enqing Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3725 - 3733
• a: 14.374 ± 0.003 Å
• b: 14.486 ± 0.003 Å
• c: 15.152 ± 0.003 Å
• α: 73.94 ± 0.02°
• β: 80.29 ± 0.02°
• γ: 72.75 ± 0.02°
• Cell volume: 2882.5 ± 1.1 ų
• Cell temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0691
• Goodness-of-fit parameter for significantly intense reflections: 1.57
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No