Information card for entry 7025540

Structure parameters

• Formula: C72 H100 Co2 F3 O29 P8 Ru S2 Ti2
• Calculated formula: C72 H55 Co2 F3 O29 P8 Ru S2 Ti2
• 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: 16.371 ± 0.001 Å
• b: 17.856 ± 0.0011 Å
• c: 16.5595 ± 0.0011 Å
• α: 90°
• β: 108.926 ± 0.001°
• γ: 90°
• Cell volume: 4579 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No