Information card for entry 1546727

Structure parameters

• Common name: Bis{<i>N</i>-[(4-dimethylamino)phenyl]-3,5-di-<i>tert</i>-butylsalicylaldiminato}cobalt(II)
• Chemical name: Bis(2,4-di-<i>tert</i>-butyl-6-{<i>N</i>-[4-(dimethylamino)phenyl]\ carboximidoyl}phenolato)cobalt(II)
• Formula: C46 H62 Co N4 O2
• Calculated formula: C46 H62 Co N4 O2
• SMILES: [Co]12(Oc3c(cc(cc3C=[N]1c1ccc(N(C)C)cc1)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C=[N]2c1ccc(N(C)C)cc1)C(C)(C)C)C(C)(C)C
• Title of publication: Bis{3,5-di-<i>tert</i>-butyl-<i>N</i>-[(4-dimethylamino)phenyl]salicylaldiminato}cobalt(II)
• Authors of publication: Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 4
• Pages of publication: x170525
• a: 11.5598 ± 0.0003 Å
• b: 13.3787 ± 0.0004 Å
• c: 17.3035 ± 0.0005 Å
• α: 111.756 ± 0.001°
• β: 96.694 ± 0.002°
• γ: 98.293 ± 0.001°
• Cell volume: 2417.01 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes