Information card for entry 4348593

Structure parameters

• Formula: C90 H82 Co7 N8 O26
• Calculated formula: C90 H82 Co7 N8 O26
• SMILES: c12c(c(ccc1)OC)[O]1[Co]345[N](=C2)c2c(cccc2)C[O]23[Co]3678[O]94Cc4c([N]%10=Cc%11c([O]%12[Co]19%10[O]18Cc8c([N]9[Co]%10%121[O]16Cc6c([N]%12=Cc%13c(c(ccc%13)OC)[O]%13[Co]1%12([O]17Cc7c([N]%12=Cc%14c([O]%15[Co]%16%172[O]5c2c(cccc2OC)C=[N]%16c2c(cccc2)C[O]3%17[Co]%131%12%15)c(OC)ccc%14)cccc7)[O]%10c1c(C=9)cccc1OC)cccc6)cccc8)c(OC)ccc%11)cccc4.N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: Co^II₄, Co^II₇, and a Series of Co^II₂Ln^III (Ln^III = Nd^III, Sm^III, Gd^III, Tb^III, Dy^III) Coordination Clusters: Search for Single Molecule Magnets.
• Authors of publication: Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10192 - 10202
• a: 10.433 ± 0.004 Å
• b: 16.281 ± 0.005 Å
• c: 26.283 ± 0.009 Å
• α: 90°
• β: 95.661 ± 0.004°
• γ: 90°
• Cell volume: 4443 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1092
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No