Information card for entry 7026537

Structure parameters

• Formula: C33 H41 Cl5 N4
• Calculated formula: C33 H41 Cl5 N4
• SMILES: n1(c([n+](cc1)c1c(cc(cc1C)C)C)/N=C(Nc1c(cccc1C)C)\C)c1c(cc(cc1C)C)C.[Cl-].ClCCl.ClCCl
• Title of publication: Coordination study of a new class of imine imidazol-2-imine ligands to titanium(IV) and palladium(II).
• Authors of publication: Dastgir, Sarim; Lavoie, Gino G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 6943 - 6946
• a: 15.8893 ± 0.0008 Å
• b: 15.8157 ± 0.0005 Å
• c: 13.8555 ± 0.0009 Å
• α: 90°
• β: 90.342 ± 0.0018°
• γ: 90°
• Cell volume: 3481.8 ± 0.3 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: 0.1251
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No