Information card for entry 7015717

Structure parameters

• Formula: C28 H32 Co3 N20 O8
• Calculated formula: C28 H32 Co3 N19 O5
• SMILES: c1cccc2C[N]34Cc5cccc[n]5[Co]53([n]12)([N](=N#N)[Co]12([O]5CC4)(ON(=[O]2)=O)[N](=N#N)[Co]234([n]5ccccc5C[N]2(Cc2cccc[n]32)CC[O]14)N=N#N)N=N#N
• Title of publication: Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.
• Authors of publication: Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 21
• Pages of publication: 5762 - 5773
• a: 8.544 ± 0.003 Å
• b: 18.177 ± 0.007 Å
• c: 12.538 ± 0.005 Å
• α: 90°
• β: 101.358 ± 0.008°
• γ: 90°
• Cell volume: 1909.1 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No