Information card for entry 4314814

Structure parameters

• Formula: C30 H70 Cl4 N2 P8 W2
• Calculated formula: C30 H70 Cl4 N2 P8 W2
• SMILES: C(#C[W]12([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)Cl)[W]12([P](CC[P]1(C)C)(C)C)([P](C)(C)CC[P]2(C)C)Cl.N#CC.[Cl-].N#CC.[Cl-]
• Title of publication: Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones
• Authors of publication: Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1687 - 1698
• a: 29.849 ± 0.006 Å
• b: 10.4 ± 0.002 Å
• c: 18.048 ± 0.004 Å
• α: 90°
• β: 121.12 ± 0.03°
• γ: 90°
• Cell volume: 4796 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No