Information card for entry 7040074

Structure parameters

• Formula: C32 H48 Co3 N4 O12
• Calculated formula: C32 H48 Co3 N4 O12
• SMILES: C1[N]23C[C@H](C)[O]4[Co]53(OC(=O)C)([n]3ccccc13)[O]([C@H](C2)C)[Co]124([O]3[C@@H](C[N]46Cc7cccc[n]7[Co]36([O]1[C@@H](C4)C)([O]=C(O2)C)OC(=O)C)C)[O]=C(O5)C
• Title of publication: Trinuclear nickel and cobalt complexes containing unsymmetrical tripodal tetradentate ligands: syntheses, structural, magnetic, and catalytic properties.
• Authors of publication: Shin, Jong Won; Jeong, Ah Rim; Lee, Sun Young; Kim, Cheal; Hayami, Shinya; Min, Kil Sik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14089 - 14100
• a: 7.919 ± 0.0016 Å
• b: 23.274 ± 0.005 Å
• c: 9.49 ± 0.0019 Å
• α: 90°
• β: 94.12 ± 0.03°
• γ: 90°
• Cell volume: 1744.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No