Information card for entry 7036436

Structure parameters

• Formula: C42 H42 Cl4 Co3 N11 O4
• Calculated formula: C42 H42 Cl4 Co3 N11 O4
• SMILES: [Co]1(Cl)(Cl)[n]2ccccc2N2[Co]3456[n]7c(C(=O)N4c4[n]([Co](Cl)(Cl)[n]8c(N5C(=O)c5[n]3c(ccc5)C2=O)cccc8)cccc4)cccc7C(=O)N6c2[n]1cccc2.CC[N+](CC)(CC)CC
• Title of publication: Trinuclear {Co(2+)-M(3+)-Co(2+)} complexes catalyze reduction of nitro compounds.
• Authors of publication: Srivastava, Sumit; Dagur, Manvender S.; Ali, Afsar; Gupta, Rajeev
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17453 - 17461
• a: 12.048 ± 0.003 Å
• b: 14.749 ± 0.004 Å
• c: 15.152 ± 0.004 Å
• α: 89.745 ± 0.004°
• β: 72.994 ± 0.004°
• γ: 84.012 ± 0.005°
• Cell volume: 2559.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No