Information card for entry 7026508

Structure parameters

• Formula: C64 H62 Cl4 Co2 N2 O20 P4 Sb4
• Calculated formula: C64 H62 Cl4 Co2 N2 O20 P4 Sb4
• SMILES: c1(ccc(cc1)Cl)[Sb]1234[O]5[Co]67([n]8ccc(cc8)C)([O](C)[Sb]85(c5ccc(cc5)Cl)(O[Sb]59%10(c%11ccc(cc%11)Cl)[O]%11[Co]%12([n]%13ccc(cc%13)C)([O](C)[Sb]%11(c%11ccc(cc%11)Cl)(O4)(OP(=[O]6)(O5)c4ccccc4)OP(=[O]%12)(c4ccccc4)[O]%10)([O]=P(O8)(O1)c1ccccc1)[O]9C)OP(O3)(=[O]7)c1ccccc1)[O]2C
• 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: 12.282 ± 0.005 Å
• b: 11.946 ± 0.005 Å
• c: 24.98 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.97 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3598 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No