Information card for entry 4082807

Structure parameters

• Formula: C29.33 H25.33 N4 O0.33
• Calculated formula: C29.3333 H25.3333 N4 O0.333333
• SMILES: N1(C2N(c3c1cccc3)c1ccccc1c1ccccc1N1C=2N(c2c1cccc2)C)C.O(CC)CC
• 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: 24.996 ± 0.004 Å
• b: 21.234 ± 0.004 Å
• c: 13.125 ± 0.002 Å
• α: 90°
• β: 101.817 ± 0.003°
• γ: 90°
• Cell volume: 6819 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1764
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No