Information card for entry 4311367

Structure parameters

• Formula: C48 H65 Cl3 Co2 N6 O2
• Calculated formula: C48 H63 Cl3 Co2 N6 O2
• SMILES: [Co]123[N](CCCCN4[Co]5(Oc6c(C=[N]5CCCCN3C3=CC=CC=CC3=[N]1C(C)C)cccc6)[N](=C1C=CC=CC=C41)C(C)C)=Cc1c(O2)cccc1.ClC(Cl)Cl.CCCCC
• Title of publication: Cobalt Chemistry with Mixed Aminotroponiminate Salicylaldiminate Ligands: Synthesis, Characterization, and Nitric Oxide Reactivity
• Authors of publication: Scott A. Hilderbrand; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4674 - 4682
• a: 13.8321 ± 0.0002 Å
• b: 24.9517 ± 0.0001 Å
• c: 14.6924 ± 0.0001 Å
• α: 90°
• β: 99.229 ± 0.001°
• γ: 90°
• Cell volume: 5005.21 ± 0.08 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No