Information card for entry 4331656

Structure parameters

• Formula: C21 H45 Co O23 P3 Re3 Zr
• Calculated formula: C21 H45 Co O23 P3 Re3 Zr
• SMILES: [Zr]12(O[P]([Co]3456([P](OCC)(OCC)O1)([P](OCC)(OCC)O2)[cH]1[cH]3[cH]4[cH]5[cH]61)(OCC)OCC)([OH2])(O[Re](=O)(=O)=O)(O[Re](=O)(=O)=O)O[Re](=O)(=O)=O.O1CCCC1
• Title of publication: Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand
• Authors of publication: Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 328 - 335
• a: 18.456 ± 0.002 Å
• b: 26.907 ± 0.003 Å
• c: 15.971 ± 0.002 Å
• α: 90°
• β: 93.818 ± 0.002°
• γ: 90°
• Cell volume: 7913.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1028
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No