Information card for entry 7044880

Structure parameters

• Common name: S140
• Formula: C48 H54 Co2 N6 Na2 O12 S2
• Calculated formula: C48 H54 Co2 N6 Na2 O12 S2
• SMILES: c12c(cccc1C=[N]1CC(C[N]3=Cc4c(c(ccc4)[O]4C)[O]5[Co]13([O]12)(N=C=S)OC(=[O]2)C)(C)C)[O](C)[Na]1245
• Title of publication: Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity.
• Authors of publication: Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 331 - 347
• a: 13.5731 ± 0.0007 Å
• b: 14.5632 ± 0.0007 Å
• c: 13.562 ± 0.0007 Å
• α: 90°
• β: 112.101 ± 0.002°
• γ: 90°
• Cell volume: 2483.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No