Information card for entry 7012373

Structure parameters

• Common name: [(MesNPPh2CHPPh2NMes)FeCl2Li(thf)(ET2O)]
• Formula: C51 H61 Cl2 Fe Li N2 O2 P2
• Calculated formula: C51 H61 Cl2 Fe Li N2 O2 P2
• SMILES: [Fe]13([Cl][Li]([Cl]1)([O]1CCCC1)[O](CC)CC)[N](=P(C=P(N3c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C
• Title of publication: Tuning low-coordinate metal environments: high spin d5‒d7 complexes supported by bis(phosphinimino)methyl ligation
• Authors of publication: Evans, David J.; Hill, Michael S.; Hitchcock, Peter B.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 570
• a: 12.814 ± 0.0012 Å
• b: 13.1172 ± 0.0007 Å
• c: 16.2526 ± 0.0016 Å
• α: 91.262 ± 0.006°
• β: 101.066 ± 0.004°
• γ: 117.249 ± 0.005°
• Cell volume: 2364.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0796
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No