Information card for entry 7026511

Structure parameters

• Formula: C74 H66 Cl4 Co2 N2 O20 P4 Sb4
• Calculated formula: C74 H66 Cl4 Co2 N2 O20 P4 Sb4
• SMILES: O1P2(c3ccccc3)=[O][Co]345([n]6ccc(cc6)c6ccccc6)[O](C)[Sb]678([O]3[Sb]3([O]4C)(O[Sb]491(c1ccc(cc1)Cl)[O](C)[Co]1%10([n]%11ccc(cc%11)c%11ccccc%11)([O]=P(O7)(c7ccccc7)O3)[O]4[Sb]([O]1C)(O8)([O]=P(O9)(O%10)c1ccccc1)(c1ccc(cc1)Cl)O2)(OP(=[O]6)(O5)c1ccccc1)c1ccc(cc1)Cl)c1ccc(cc1)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: 12.4607 ± 0.0004 Å
• b: 12.8811 ± 0.0004 Å
• c: 13.7595 ± 0.0004 Å
• α: 83.906 ± 0.002°
• β: 73.185 ± 0.002°
• γ: 75.036 ± 0.003°
• Cell volume: 2041.2 ± 0.11 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: 0.0521
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No