Information card for entry 4306075

Structure parameters

• Formula: C64 H62 Mo N2 P2 S4 Se
• Calculated formula: C64 H54 Mo N2 P2 S4 Se
• 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: 12.668 ± 0.0019 Å
• b: 13.1139 ± 0.0019 Å
• c: 19.873 ± 0.003 Å
• α: 95.3787 ± 0.0019°
• β: 95.569 ± 0.003°
• γ: 112.36 ± 0.003°
• Cell volume: 3008 ± 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: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No