Information card for entry 7026507

Structure parameters

• Formula: C64 H62 Cl4 Co2 N2 O20 P4 Sb4
• Calculated formula: C64 H62 Cl4 Co2 N2 O20 P4 Sb4
• SMILES: c1cc(ccc1[Sb]1234O[Sb]567(c8ccc(cc8)Cl)OP8(O[Sb]9%10%11([O]7[Co]([n]7cccc(c7)C)([O]6C)([O]=P(O2)(O[Sb]26(c7ccc(cc7)Cl)(OP([O]3)(=[O][Co]([n]3cccc(c3)C)([O]1C)([O]2C)([O]=8)[O]46)c1ccccc1)O%11)c1ccccc1)([O]=P(O%10)([O]5)c1ccccc1)[O]9C)c1ccc(cc1)Cl)c1ccccc1)Cl
• 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: 12.4428 ± 0.0004 Å
• b: 11.9106 ± 0.0004 Å
• c: 24.8044 ± 0.0008 Å
• α: 90°
• β: 101.87 ± 0.003°
• γ: 90°
• Cell volume: 3597.4 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No