Information card for entry 7025541

Structure parameters

• Formula: C125 H210 Co6 F6 N2 O94.25 P18 Re3 S5 Ti6
• Calculated formula: C125 H136.1 Co6 F6 N2 O94.25 P18 Re3 S5 Ti6
• Title of publication: Heterometallic Ti(IV)-Ru(II) and Ti(IV)-Re(I) sulfato complexes containing the Kläui tripodal ligand [(eta5-C5H5)Co{P(O)(OEt)2}3]-.
• Authors of publication: Yi, Xiao-Yi; Sung, Herman H. Y.; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5737 - 5741
• a: 34.3796 ± 0.0003 Å
• b: 20.5345 ± 0.0002 Å
• c: 31.9948 ± 0.0003 Å
• α: 90°
• β: 108.178 ± 0.001°
• γ: 90°
• Cell volume: 21460 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No