Information card for entry 7024259

Structure parameters

• Formula: C45 H67 Cl2 Cu3 N3 O19 P4 Sb2
• Calculated formula: C45 H67 Cl2 Cu3 N3 O19 P4 Sb2
• SMILES: [Sb]1234(O[Sb]567(c8ccc(cc8)Cl)O[Cu]8([n]9ccccc9)OP(=O)(C(C)(C)C)O[Cu]([n]9ccccc9)(O1)[O]=P(C(C)(C)C)(O4)O[Cu]([n]1ccccc1)([O]25)(OP(=[O]7)(C(C)(C)C)O3)[O]=P(C(C)(C)C)(O6)O8)c1ccc(cc1)Cl.CO.CO.O
• 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: 11.6323 ± 0.0002 Å
• b: 13.2236 ± 0.0004 Å
• c: 21.2764 ± 0.0006 Å
• α: 91.158 ± 0.002°
• β: 102.161 ± 0.002°
• γ: 104.612 ± 0.002°
• Cell volume: 3086.51 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No