Information card for entry 7026516

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]12345OP6(=[O][Co]789%10([O]2[Sb]2%11%12%13%10([O]%10[Sb]%14%155(c5ccc(cc5)Cl)(OP(O1)(=[O][Co]([n]1ccccc1)([O]3%14)(O6)[O]=P(O%15)(c1ccccc1)O[Co]1%11%10([n]3ccccc3)(OP3(O[Sb]56%10(c%11ccc(cc%11)Cl)(OP%11(O[Sb]%14%10(c%10ccc(cc%10)Cl)([O]5[Co]([n]5ccccc5)([O]=3)([O]=%11)[O]=P(O%14)(c3ccccc3)O8)(O6)[O]7%12)c3ccccc3)[O]21)c1ccccc1)[O]9%13)c1ccccc1)O4)c1ccc(cc1)Cl)[n]1ccccc1)c1ccccc1.N#CC.N#CC.N#CC.N#CC
• Title of publication: Synthesis and structural and magnetic characterisation of cobalt(ii) complexes of mixed phosphonate-antimonate ligands.
• Authors of publication: Ali, Shoaib; Muryn, Christopher A.; Tuna, Floriana; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9588 - 9597
• 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