Information card for entry 7012318

Structure parameters

• Chemical name: mu-oxo-bis(trichloro(1,4,7,10,13,16-hexaoxacyclooctadecane)titanium(IV)) toluene solvate
• Formula: C27.5 H52 Cl6 O13 Ti2
• Calculated formula: C27.5 H48 Cl6 O13 Ti2
• Title of publication: Crown ether complexes of titanium(iv) chloride and bromide and the structures of the hydrolysis products [Ti2Cl6(µ-O)(18-crown-6)2] and [Ti4Cl8(µ-O)4(15-crown-5)4]
• Authors of publication: Levason, William; Popham, Michael C.; Reid, Gillian; Webster, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 291
• a: 10.2483 ± 0.0005 Å
• b: 13.835 ± 0.001 Å
• c: 14.7207 ± 0.001 Å
• α: 84.669 ± 0.003°
• β: 81.909 ± 0.003°
• γ: 79.892 ± 0.003°
• Cell volume: 2029.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No