Information card for entry 7031747

Structure parameters

• Formula: C46 H53 Cl2 Cu N2 Si
• Calculated formula: C46 H53 Cl2 Cu N2 Si
• SMILES: [Cu](Cl)=C1N(C=C([Si](Cl)(c2ccccc2)c2ccccc2)N1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
• Title of publication: Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes.
• Authors of publication: Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13704 - 13710
• a: 11.38 ± 0.002 Å
• b: 15.471 ± 0.002 Å
• c: 24.676 ± 0.003 Å
• α: 90°
• β: 98.03 ± 0.02°
• γ: 90°
• Cell volume: 4301.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No