Information card for entry 7035119

Structure parameters

• Formula: C116 H160 N4 O8 Ti2
• Calculated formula: C116 H160 N4 O8 Ti2
• SMILES: c12c(cc(cc1C=[N]1Cc3cccc(c3)C[N]3=Cc4c(O[Ti]53([N](=Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O5)Cc3cccc(c3)C[N]3[Ti]1(O2)(Oc1c(cc(cc1C=3)C(C)(C)C)C(C)(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)c(cc(c4)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.c1(ccccc1)C.c1c(cccc1)C.c1(ccccc1)C.c1c(cccc1)C
• Title of publication: Synthesis and characterization of group 4 metal alkoxide complexes containing imine based bis-bidentate ligands: effective catalysts for the ring opening polymerization of lactides, epoxides and polymerization of ethylene.
• Authors of publication: Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10352 - 10367
• a: 11.524 ± 0.008 Å
• b: 15.116 ± 0.011 Å
• c: 16.715 ± 0.012 Å
• α: 74.45 ± 0.03°
• β: 83.73 ± 0.04°
• γ: 73.38 ± 0.04°
• Cell volume: 2686 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.25
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2234
• Weighted residual factors for all reflections included in the refinement: 0.3125
• 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