Information card for entry 7024257

Structure parameters

• Formula: C60 H88 Cl2 Cu4 N6 O22 P6 Sb2
• Calculated formula: C60 H88 Cl2 Cu4 N6 O22 P6 Sb2
• SMILES: [Sb]1234(c5ccc(cc5)Cl)O[Cu]56([n]7ccccc7)[O]=P7(C(C)(C)C)O[Sb]89(c%10ccc(cc%10)Cl)(OP(C(C)(C)C)(O[Cu]%10([n]%11ccccc%11)([O]=P(C(C)(C)C)(O1)O[Cu]([n]1ccccc1)([O]2%10)[O]=P(O3)(C(C)(C)C)O[Cu]([n]1ccccc1)(O8)(OP(O9)(C(C)(C)C)=O)O7)[O]=P(O4)(C(C)(C)C)O6)=O)O5.N#CC.N#CC
• 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: 15.002 ± 0.0004 Å
• b: 17.3532 ± 0.0006 Å
• c: 16.0039 ± 0.0004 Å
• α: 90°
• β: 90.349 ± 0.002°
• γ: 90°
• Cell volume: 4166.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No