Information card for entry 7025612

Structure parameters

• Formula: C47 H56 Cl7 Cu N6
• Calculated formula: C47 H56 Cl7 Cu N6
• SMILES: [Cu](Cl)(=C1N(C=CN1/C(=N/c1c(cccc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1C(=N\c1c(cccc1C)C)\C)c1c(cc(cc1C)C)C.ClCCl.ClCCl.ClCCl
• Title of publication: First aryl-substituted acyclic imino-N-heterocyclic carbene ligand precursor: synthesis, characterisation and coordination with silver(I) and copper(I).
• Authors of publication: Badaj, Anna C.; Dastgir, Sarim; Lough, Alan J.; Lavoie, Gino G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3361 - 3365
• a: 11.181 ± 0.0003 Å
• b: 11.2363 ± 0.0003 Å
• c: 24.0984 ± 0.0009 Å
• α: 98.178 ± 0.002°
• β: 90.697 ± 0.002°
• γ: 116.143 ± 0.002°
• Cell volume: 2680.63 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No