Information card for entry 2227427

Structure parameters

• Chemical name: Bis(1<i>H</i>-pyrazole-κ<i>N</i>^3^)bis(2,4,6-triisopropylbenzoato- κ<i>O</i>)cobalt(II)
• Formula: C38 H54 Co N4 O4
• Calculated formula: C38 H54 Co N4 O4
• SMILES: c1(c(cc(cc1C(C)C)C(C)C)C(C)C)C(=O)O[Co]([n]1[nH]ccc1)([n]1[nH]ccc1)OC(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Bis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(2,4,6-triisopropylbenzoato-κ<i>O</i>)cobalt(II)
• Authors of publication: Hrib, Cristian G.; Blaurock, Steffen; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1387
• a: 9.6146 ± 0.0019 Å
• b: 12.792 ± 0.003 Å
• c: 31.275 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3846.5 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes