Information card for entry 7045035

Structure parameters

• Formula: C21 H20 Co N7 O6
• Calculated formula: C21 H20 Co N7 O6
• SMILES: [Co]1234(Oc5c([N]2=Cc2[n]1cc[nH]2)cccc5)Oc1c([N]4=Cc2[n]3cc[nH]2)cccc1.OC.O=N(=O)[O-]
• Title of publication: Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex.
• Authors of publication: Sertphon, Darunee; Murray, Keith S.; Phonsri, Wasinee; Jover, Jesús; Ruiz, Eliseo; Telfer, Shane G.; Alkaş, Adil; Harding, Phimphaka; Harding, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 859 - 867
• a: 8.4486 ± 0.0005 Å
• b: 10.2104 ± 0.0007 Å
• c: 12.8436 ± 0.0009 Å
• α: 96.875 ± 0.007°
• β: 98.442 ± 0.007°
• γ: 101.045 ± 0.007°
• Cell volume: 1063.09 ± 0.13 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 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: 0.1112
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2337
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No