Information card for entry 4314887

Structure parameters

• Formula: C101 H90 Cl5 F6 Mo3 O P7 S12 Se4
• Calculated formula: C101 H88 Cl5 F6 Mo3 O P7 S12 Se4
• Title of publication: Hybrid Organic/Inorganic Complexes Based on Electroactive Tetrathiafulvalene-Functionalized Diphosphanes Tethered to C3-Symmetrized Mo3Q4 (Q = S, Se) Clusters
• Authors of publication: Narcis Avarvari; Kaplan Kiracki; Rosa Llusar; Victor Polo; Ivan Sorribes; Cristian Vicent
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1894 - 1904
• a: 14.126 ± 0.002 Å
• b: 17.742 ± 0.003 Å
• c: 27.004 ± 0.004 Å
• α: 97.207 ± 0.003°
• β: 104.872 ± 0.003°
• γ: 112.674 ± 0.003°
• Cell volume: 5841.4 ± 1.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No