Information card for entry 4082810

Structure parameters

• Formula: C42 H36 Fe N4
• Calculated formula: C42 H36 Fe N4
• SMILES: [Fe]1(=C2N(C)c3ccccc3N2c2ccccc2c2ccccc2N2C=1N(c1c2cccc1)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization
• Authors of publication: Liu, Yang; Shi, Min; Deng, Liang
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5660
• a: 10.097 ± 0.004 Å
• b: 12.19 ± 0.005 Å
• c: 16.809 ± 0.007 Å
• α: 69.784 ± 0.006°
• β: 86.117 ± 0.006°
• γ: 68.508 ± 0.007°
• Cell volume: 1802.3 ± 1.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1913
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No