Information card for entry 7026509

Structure parameters

• Formula: C70 H62 Cl4 Co2 N2 O20 P4 Sb4
• Calculated formula: C70 H62 Cl4 Co2 N2 O20 P4 Sb4
• SMILES: c1(ccc(cc1)Cl)[Sb]1234[O](C)[Co]567([n]8cccc9c8cccc9)[O]=P8(O[Sb]9%10(c%11ccc(cc%11)Cl)(O1)OP1([O][Sb]%11%12(c%13ccc(cc%13)Cl)([O](C)[Co]([O]9C)([n]9cccc%13c9cccc%13)([O]=P(O2)(O[Sb](c2ccc(cc2)Cl)(O%11)([O]45)(OP(O3)(c2ccccc2)=[O]7)[O]6C)c2ccccc2)([O]%10%12)[O]=1)O8)c1ccccc1)c1ccccc1
• 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: 15.404 ± 0.0006 Å
• b: 12.0434 ± 0.0004 Å
• c: 20.6638 ± 0.0008 Å
• α: 90°
• β: 102.938 ± 0.004°
• γ: 90°
• Cell volume: 3736.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No