Information card for entry 2208289

Structure parameters

• Chemical name: Pentacarbonyl[N,N-dimethyl-N'-(5-{2-[5-(4-pyridylethynyl)thiophen-2- yl]vinyl}thiophen-2-ylmethylene)benzene-1,4-diamine]tungsten
• Formula: C31 H21 N3 O5 S2 W
• Calculated formula: C31 H21 N3 O5 S2 W
• SMILES: [W]([n]1ccc(cc1)C#Cc1sc(cc1)/C=C\c1sc(cc1)/C=N\c1ccc(N(C)C)cc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Pentacarbonyl[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(5-{2-[5-(4-pyridylethynyl)thiophen-2-yl]vinyl}thiophen-2-ylmethylene)benzene-1,4-diamine]tungsten(0)
• Authors of publication: Huang, Ping-Hsin; Huang, Tai-Hsiang; Shen, Jiun-Yi; Wen, Yuh-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m432 - m433
• a: 10.6767 ± 0.0002 Å
• b: 11.9258 ± 0.0002 Å
• c: 13.0623 ± 0.0002 Å
• α: 89.606 ± 0.001°
• β: 86.66 ± 0.001°
• γ: 63.538 ± 0.001°
• Cell volume: 1486.08 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0262
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes