Information card for entry 7020857

Structure parameters

• Formula: C36 H51 N O9 S4 Si W
• Calculated formula: C36 H48 N O9 S4 Si W
• Title of publication: A new series of bis(ene-1,2-dithiolato)tungsten(iv), -(v), -(vi) complexes as reaction centre models of tungsten enzymes: Preparation, crystal structures and spectroscopic properties.
• Authors of publication: Sugimoto, Hideki; Hatakeda, Kohei; Toyota, Kazuo; Tatemoto, Susumu; Kubo, Minoru; Ogura, Takashi; Itoh, Shinobu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 9
• Pages of publication: 3059 - 3070
• a: 10.45548 ± 0.00019 Å
• b: 18.3525 ± 0.0003 Å
• c: 22.3689 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4292.24 ± 0.13 ų
• Cell temperature: 108.1 K
• Ambient diffraction temperature: 108.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No