Information card for entry 4077677

Structure parameters

• Formula: C18 H20 Se5 W
• Calculated formula: C18 H20 Se5 W
• SMILES: [W]1234567([Se]C1=C([Se][Se]2)c1ccccc1)([Se][Se]3)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• 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: 7.191 ± 0.002 Å
• b: 8.353 ± 0.002 Å
• c: 17.93 ± 0.005 Å
• α: 100.669 ± 0.006°
• β: 93.552 ± 0.005°
• γ: 99.281 ± 0.008°
• Cell volume: 1039.8 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.0661
• Goodness-of-fit parameter for all reflections: 0.891
• Goodness-of-fit parameter for significantly intense reflections: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No