Information card for entry 4072499

Structure parameters

• Common name: Moris-100 (Florina)
• Formula: C31 H54 N2 O6 Ti
• Calculated formula: C31 H54 N2 O6 Ti
• SMILES: [Ti]12(OC(=CC(=[O]1)C(C)(C)C)N(CC)CC)([O]=C(C=C(O2)N(CC)CC)C(C)(C)C)(OC)OC.c1(ccccc1)C
• Title of publication: Titanium and Zirconium Complexes for Polymerization of Propylene and Cyclic Esters
• Authors of publication: Gornshtein, Florina; Kapon, Moshe; Botoshansky, Mark; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 497
• a: 9.603 ± 0.002 Å
• b: 9.672 ± 0.002 Å
• c: 19.325 ± 0.004 Å
• α: 92.6 ± 0.02°
• β: 100.11 ± 0.03°
• γ: 90.25 ± 0.02°
• Cell volume: 1765.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2005
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.726
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No