Information card for entry 1563391

Structure parameters

• Formula: C38 H50 N8 O21 S2 W6
• Calculated formula: C38 H50 N8 O21 S2 W6
• SMILES: c12[s+]c3cc(ccc3nc1ccc(N(C)C)c2)N(C)C.N(C)(C=O)C.O1[W]234(O[W]567([O]89%102[W]2%11(O[W]9(O5)(=O)(O3)O[W]%10(O[W]18(=O)(O%11)O7)(O2)(=O)O4)(O6)=O)=O)=O.c1(cc2[s+]c3c(ccc(N(C)C)c3)nc2cc1)N(C)C.N(C)(C)C=O
• Title of publication: Two inorganic‒organic hybrid materials based on polyoxometalate anions and methylene blue: Preparations, crystal structures and properties
• Authors of publication: Nie, Shanshan; Zhang, Yaobin; Liu, Bin; Li, Zuoxi; Hu, Huaiming; Xue, Ganglin; Fu, Feng; Wang, Jiwu
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 12
• Pages of publication: 2957 - 2962
• a: 10.368 ± 0.0018 Å
• b: 11.703 ± 0.002 Å
• c: 12.164 ± 0.002 Å
• α: 89.777 ± 0.002°
• β: 65.197 ± 0.002°
• γ: 79.206 ± 0.002°
• Cell volume: 1311.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No