Information card for entry 4306074

Structure parameters

• Formula: C76 H84 Mo2 N4 P2 S8 Se2
• Calculated formula: C80 H68 Mo2 N4 P2 S8 Se2
• Title of publication: Selenidobis(dithiolene)metal(IV) Complexes (Metal M = Mo, W) Potentially Related to the Nicotinic Acid Hydroxylase Reaction Center: Redox Aspects in Electrochemistry and Oxygen Atom Transfer from Me3NO to MIV Centers
• Authors of publication: Hiroyuki Tano; Reiko Tajima; Hiroyuki Miyake; Shinobu Itoh; Hideki Sugimoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7465 - 7467
• a: 10.413 ± 0.002 Å
• b: 12.042 ± 0.003 Å
• c: 17.15 ± 0.004 Å
• α: 84.322 ± 0.007°
• β: 83.147 ± 0.007°
• γ: 65.019 ± 0.005°
• Cell volume: 1932.6 ± 0.8 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.2823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No