Information card for entry 7234542

Structure parameters

• Formula: C38 H24 Co N6 O2
• Calculated formula: C38 H24 Co N6 O2
• SMILES: [Co]1234(Oc5c6ccccc6c6ccccc6c5[N]1=Nc1[n]2cccc1)Oc1c2ccccc2c2ccccc2c1[N]3=Nc1[n]4cccc1
• Title of publication: Spin-crossover in a homoleptic cobalt(ii) complex containing a redox-active NNO ligand
• Authors of publication: R. A. Taylor; A. J. Lough; M. T. Lemaire
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 455 - 459
• a: 21.2693 ± 0.0009 Å
• b: 17.2515 ± 0.0007 Å
• c: 19.103 ± 0.0008 Å
• α: 90°
• β: 120.899 ± 0.002°
• γ: 90°
• Cell volume: 6014.6 ± 0.5 ų
• Cell temperature: 325 ± 2 K
• Ambient diffraction temperature: 325 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No