Information card for entry 4071710

Structure parameters

• Formula: C45 H73 F6 Fe2 N2 O7 P4 S2 W
• Calculated formula: C45 H73 F6 Fe2 N2 O7 P4 S2 W
• Title of publication: Synthesis and Reactivity of Tungsten− and Molybdenum−Dinitrogen Complexes Bearing Ferrocenyldiphosphines toward Protonolysis
• Authors of publication: Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Wakiji, Issei; Hidai, Masanobu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3947
• a: 10.9423 ± 0.0005 Å
• b: 11.2199 ± 0.0004 Å
• c: 23.4042 ± 0.0008 Å
• α: 77.6402 ± 0.001°
• β: 78.933 ± 0.0014°
• γ: 83.6774 ± 0.0014°
• Cell volume: 2747.42 ± 0.19 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No