Information card for entry 4077734

Structure parameters

• Formula: C15 H24 Cl2 N2 O4 Ti
• Calculated formula: C15.001 H24 Cl2 N2 O4 Ti
• Title of publication: N-Alkoxy-β-ketoiminate Complexes of Groups 4 and 5: Synthesis and Characterization of the Complexes [(η5-C5H4R)M{CH3C(O)CHC(NCH2CHR‘O)CH3}Cln] (M = Ti,n= 1; M = Nb,n= 2; R = H, Me; R‘ = H, Me), [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}Cl2(thf)], and [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}2]
• Authors of publication: Doherty, Simon; Errington, R. John; Housley, Neil; Ridland, John; Clegg, William; Elsegood, Mark R. J.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1018
• a: 7.995 ± 0.003 Å
• b: 11.264 ± 0.005 Å
• c: 11.58 ± 0.005 Å
• α: 79.44 ± 0.03°
• β: 72.29 ± 0.019°
• γ: 74.96 ± 0.02°
• Cell volume: 953.2 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No