Information card for entry 7025610

Structure parameters

• Formula: C23 H28 Cl3 N3
• Calculated formula: C23 H28 Cl3 N3
• SMILES: [Cl-].n1(c[n+](cc1)/C(=N/c1c(cccc1C)C)C)c1c(cc(cc1C)C)C.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: 9.0219 ± 0.0002 Å
• b: 26.6329 ± 0.0007 Å
• c: 10.7548 ± 0.0003 Å
• α: 90°
• β: 113.698 ± 0.0014°
• γ: 90°
• Cell volume: 2366.25 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1043
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No