Information card for entry 4314108

Structure parameters

• Formula: C40 H14 F20 Hg N2 O12 P2 W2
• Calculated formula: C40 H14 F20 Hg N2 O12 P2 W2
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P](c1c(c(c(c(c1F)F)F)F)F)(c1c(F)c(c(c(c1F)F)F)F)[Hg]([O]=CN(C)C)([O]=CN(C)C)[P]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Preparation and Characterization of [Hg{P(C6F5)2}2], [Hg{(μ-P(C6F5)2)W(CO)5}2], and [Hg{(μ-P(CF3)2)W(CO)5}2] and the X-ray Crystal Structure of [Hg{(μ-P(C6F5)2)W(CO)5}2].2DMF
• Authors of publication: Berthold Hoge; Tobias Herrmann; Christoph Thösen; Ingo Pantenburg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5422 - 5428
• a: 23.662 ± 0.003 Å
• b: 10.4691 ± 0.001 Å
• c: 20.264 ± 0.003 Å
• α: 90°
• β: 104.011 ± 0.01°
• γ: 90°
• Cell volume: 4870.5 ± 1.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0428
• Goodness-of-fit parameter for all reflections: 0.8
• Goodness-of-fit parameter for significantly intense reflections: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No