Information card for entry 7010915

Structure parameters

• Formula: C35 H22 Mo N8 O2 S18
• Calculated formula: C35 H22 Mo N8 O2 S18
• Title of publication: An unusual phase transition in the crystal structure and physical properties of (TTF)9[Mo(CN)8]2·4H2O, where TTF = tetrathiafulvalene
• Authors of publication: Rombaut, Guillaume; Turner, Scott S.; Pévelen, Delphine Le; Mathonière, Corine; Day, Peter; Prout, Keith
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 3244
• a: 9.799 ± 0.0007 Å
• b: 10.663 ± 0.0005 Å
• c: 22.994 ± 0.0018 Å
• α: 79.981 ± 0.004°
• β: 89.798 ± 0.004°
• γ: 79.013 ± 0.004°
• Cell volume: 2321.5 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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 significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1239
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No