Information card for entry 4343561

Structure parameters

• Formula: C78 H130 Fe2 N6 O2 P4
• Calculated formula: C78 H130 Fe2 N6 O2 P4
• SMILES: [Fe]12([P](c3c(N2P(=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)CCC2)(C(C)C)C(C)C)cccc3)(C(C)C)C(C)C)[N]#[N][Fe]12[P](c3c(N2P(=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)CCC2)(C(C)C)C(C)C)cccc3)(C(C)C)C(C)C.O(CC)CC.O(CC)CC
• Title of publication: N2 Activation by an Iron Complex with a Strong Electron-Donating Iminophosphorane Ligand.
• Authors of publication: Suzuki, Tatsuya; Wasada-Tsutsui, Yuko; Ogawa, Takahiko; Inomata, Tomohiko; Ozawa, Tomohiro; Sakai, Yoichi; Fryzuk, Michael D.; Masuda, Hideki
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9271 - 9281
• a: 11.5965 ± 0.0004 Å
• b: 17.345 ± 0.0005 Å
• c: 22.1096 ± 0.0006 Å
• α: 74.6192 ± 0.0007°
• β: 77.0841 ± 0.0009°
• γ: 71.9256 ± 0.001°
• Cell volume: 4027.6 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No