Information card for entry 4077676

Structure parameters

• Formula: C18 H20 O Se2 W
• Calculated formula: C18 H20 O Se2 W
• SMILES: [W]12345([c]6([c]2([c]1([c]4([c]36C)C)C)C)C)([Se][Se]5)(=O)C#Cc1ccccc1
• Title of publication: Synthesis of New Selenium- and Oxygen-Containing Tungsten Acetylide Complexes [(η5-C5Me5)W(O)(Se2)(CCPh)] and [(η5-C5Me5)W(Se5CCPh)]
• Authors of publication: Mathur, Pradeep; Ahmed, Moawia O.; Dash, Aswini K.; Kaldis, John H.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 941
• a: 9.6251 ± 0.0003 Å
• b: 14.4492 ± 0.0004 Å
• c: 13.3573 ± 0.0005 Å
• α: 90°
• β: 92.121 ± 0.001°
• γ: 90°
• Cell volume: 1856.39 ± 0.1 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.0733
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No