Information card for entry 2240788

Structure parameters

• Chemical name: Di-μ-iodido-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]lithium}
• Formula: C54 H72 I2 Li2 N4
• Calculated formula: C54 H72 I2 Li2 N4
• SMILES: [Li]1(=C2N(C=CN2c2c(C(C)C)cccc2C(C)C)c2c(cccc2C(C)C)C(C)C)[I][Li](=C2N(C=CN2c2c(C(C)C)cccc2C(C)C)c2c(cccc2C(C)C)C(C)C)[I]1
• Title of publication: Crystal structure of di-μ-iodido-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]lithium}
• Authors of publication: Wan, Hui-Da; Hong, Jian-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: m137 - m138
• a: 10.645 ± 0.004 Å
• b: 14.49 ± 0.006 Å
• c: 19.217 ± 0.007 Å
• α: 90°
• β: 105.565 ± 0.006°
• γ: 90°
• Cell volume: 2855.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes