Information card for entry 7024258

Structure parameters

• Formula: C58 H92 Cl2 Cu8 N2 O30 P6 Sb2
• Calculated formula: C58 H92 Cl2 Cu8 N2 O30 P6 Sb2
• SMILES: c1(ccc(cc1)Cl)[Sb]1234OP5(=[O][Cu]67[O]83[Cu]39[O]=C(C)O[Cu]([n]%10c(cccc%10C)C)([O]=P(O[Cu]%108[O]=P8(O[Sb]%11%12(c%13ccc(cc%13)Cl)(OP(C(C)(C)C)(O9)=[O][Cu]9(O8)[O]=C(C)O9)OP(O6)(=[O][Cu]6([n]8c(cccc8C)C)[O]=C(C)O[Cu]([O]=P(C(C)(C)C)(O4)O[Cu]4(O5)[O]=C(C)O4)([O]%116)[O]7%10%12)C(C)(C)C)C(C)(C)C)(O1)C(C)(C)C)[O]23)C(C)(C)C
• Title of publication: Synthesis and structural and magnetic characterisation of copper(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: 1
• Pages of publication: 124 - 131
• a: 14.311 ± 0.0003 Å
• b: 21.4852 ± 0.0004 Å
• c: 14.3972 ± 0.0003 Å
• α: 90°
• β: 103.04 ± 0.002°
• γ: 90°
• Cell volume: 4312.62 ± 0.15 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: 0.0427
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No