Information card for entry 7015465

Structure parameters

• Formula: C30 H42 Br2 Cl6 N2
• Calculated formula: C30 H42 Br2 Cl6 N2
• SMILES: BrC1=[N+](CCCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Br-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.
• Authors of publication: Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 3074 - 3076
• a: 10.9457 ± 0.0012 Å
• b: 21.357 ± 0.002 Å
• c: 15.7609 ± 0.0017 Å
• α: 90°
• β: 95.597 ± 0.002°
• γ: 90°
• Cell volume: 3666.8 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1278
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No