Information card for entry 4082813

Structure parameters

• Formula: C34 H32 Fe N4
• Calculated formula: C34 H32 Fe N4
• SMILES: C12N(C)c3ccccc3N1c1c(cccc1)c1c(N3C(=[Fe]4567=2(C[CH]4=[CH2]5)C[CH]6=[CH2]7)N(C)c2ccccc32)cccc1
• 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: 13.501 ± 0.0015 Å
• b: 13.501 ± 0.0015 Å
• c: 14.6888 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2677.4 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No