Information card for entry 7103601

Structure parameters

• Formula: C94 H82 Cl5 Co4 N8 O27 P6 Sb5
• Calculated formula: C94 H82 Cl5 Co4 N8 O27 P6 Sb5
• SMILES: c1(ccc(cc1)Cl)[Sb]1234OP5(=[O][Co]678([O]2[Sb]29%10([O]%11[Sb]%12%13(c%14ccc(cc%14)Cl)(OP(O1)(=[O][Co]([n]1ccccc1)([O]3%12)(O5)[O]=P(O%13)(c1ccccc1)O[Co]1%11([n]3ccccc3)([O]=P3(O[Sb]5%11(c%12ccc(cc%12)Cl)(OP%12(O[Sb]%13(c%14ccc(cc%14)Cl)([O]5[Co]([n]5ccccc5)(O3)([O]=%12)[O]=P(O%13)(c3ccccc3)O8)(O%11)[O]79)c3ccccc3)[O]21)c1ccccc1)[O]6%10)c1ccccc1)O4)c1ccc(cc1)Cl)[n]1ccccc1)c1ccccc1.N#CC.N#CC.N#CC.N#CC
• Title of publication: Mixed antimonate-phosphonate ligands as polydentate bridging oxygen donors.
• Authors of publication: Ali, Shoaib; Baskar, Viswanathan; Muryn, Christopher A; Winpenny, Richard E P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6375 - 6377
• a: 16.8698 ± 0.0007 Å
• b: 16.8698 ± 0.0007 Å
• c: 40.0183 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11388.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No