Information card for entry 7106057

Structure parameters

• Formula: C30 H26 F12 Fe N10 P2
• Calculated formula: C30 H26 F12 Fe N10 P2
• SMILES: C12N(C=CN1c1ccccc1)c1[n](cccn1)[Fe]1=2([N]#CC)(=C2N(C=CN2c2ccccc2)c2[n]1cccn2)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Facile Synthesis of Metal N-Heterocyclic Carbene Complexes
• Authors of publication: Bin Liu; Yin Zhang; Daichao Xu; Wanzhi Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2883
• a: 12.9083 ± 0.0013 Å
• b: 17.3384 ± 0.0017 Å
• c: 15.139 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3388.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1753
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2595
• Weighted residual factors for all reflections included in the refinement: 0.367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No