Information card for entry 7006385

Structure parameters

• Common name: S2P2W
• Formula: C32 H18 O4 P2 S4 W
• Calculated formula: C32 H18 O4 P2 S4 W
• SMILES: [W]([P]1(c2ccsc2c2sccc12)c1ccccc1)([P]1(c2ccsc2c2sccc12)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and optoelectronic properties of transition metal complexes incorporating dithieno[3,2-b:2',3'-d]phosphole ligands.
• Authors of publication: Dienes, Yvonne; Eggenstein, Matthias; Neumann, Toni; Englert, Ulli; Baumgartner, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 11
• Pages of publication: 1424 - 1433
• a: 11.179 ± 0.002 Å
• b: 14.844 ± 0.003 Å
• c: 18.518 ± 0.004 Å
• α: 94.93 ± 0.03°
• β: 95.76 ± 0.03°
• γ: 94.64 ± 0.03°
• Cell volume: 3033.6 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No