Information card for entry 7026539

Structure parameters

• Formula: C32 H37 Cl7 N4 Ti
• Calculated formula: C32 H37 Cl7 N4 Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)(Cl)[N](=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)C(=[N]1c1c(cccc1C)C)C.ClC(Cl)Cl
• 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: 31.2113 ± 0.0007 Å
• b: 9.2685 ± 0.0004 Å
• c: 25.6275 ± 0.0008 Å
• α: 90°
• β: 105.363 ± 0.0018°
• γ: 90°
• Cell volume: 7148.7 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No