Information card for entry 7026512

Structure parameters

• Formula: C66 H66 Cl4 Co2 N2 O20 P4 Sb4
• Calculated formula: C66 H66 Cl4 Co2 N2 O20 P4 Sb4
• SMILES: [n]1(ccc(cc1)CC)[Co]1234[O](C)[Sb]567(c8ccc(cc8)Cl)OP(O[Sb]8(c9ccc(cc9)Cl)(O[Sb]9%10%11(c%12ccc(cc%12)Cl)OP%12(=[O][Co]%13([n]%14ccc(cc%14)CC)([O]%10C)([O]=P(O5)(O8)c5ccccc5)[O](C)[Sb](c5ccc(cc5)Cl)(O6)(OP(=[O]1)(O9)c1ccccc1)([O]%12)[O]%11%13)c1ccccc1)([O]3C)[O]47)(=[O]2)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: 12.5774 ± 0.0005 Å
• b: 11.8992 ± 0.0004 Å
• c: 24.9253 ± 0.0008 Å
• α: 90°
• β: 100.943 ± 0.003°
• γ: 90°
• Cell volume: 3662.5 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No