Information card for entry 4350542

Structure parameters

• Chemical name: (PPh4)2[MoO(Se-2-CF3CONHC6H4)4]
• Formula: C80 H60 F12 Mo N4 O5 P2 Se4
• Calculated formula: C80 H60 F12 Mo N4 O5 P2 Se4
• Title of publication: Crystal structures and 77Se NMR spectra of molybdenum(IV) areneselenolates having intramolecular NH...Se hydrogen bonds.
• Authors of publication: Okamura, Taka-Aki; Taniuchi, Kaku; Lee, Keonil; Yamamoto, Hitoshi; Ueyama, Norikazu; Nakamura, Akira
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9374 - 9380
• a: 12.624 ± 0.009 Å
• b: 13.42 ± 0.008 Å
• c: 13.886 ± 0.009 Å
• α: 61.934 ± 0.017°
• β: 66.77 ± 0.02°
• γ: 69.349 ± 0.018°
• Cell volume: 1867 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No