Information card for entry 4071707

Structure parameters

• Formula: C36 H56 Fe2 N4 P4 W
• Calculated formula: C36 H56 Fe2 N4 P4 W
• SMILES: [W]12([P]([c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[c]3([P]1(CC)CC)[cH]8[cH]9[cH]%10[cH]%113)(CC)CC)([P]([c]13[cH]4[Fe]56789%101([cH]4[cH]5[cH]36)[c]1([cH]%10[cH]9[cH]8[cH]71)[P]2(CC)CC)(CC)CC)([N]#N)[N]#N
• 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: 10.3251 ± 0.0005 Å
• b: 12.9548 ± 0.0007 Å
• c: 16.0045 ± 0.0008 Å
• α: 68.5308 ± 0.0015°
• β: 75.0976 ± 0.0015°
• γ: 75.3906 ± 0.0016°
• Cell volume: 1895.23 ± 0.17 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No