Information card for entry 4350643

Structure parameters

• Formula: C36 H30 Co N4 O2
• Calculated formula: C36 H28.5 Co N4 O2
• SMILES: [Co]12(Oc3ccccc3C=[N]2c2ccccc2)(Oc2c(C=[N]1c1ccccc1)cccc2)([n]1ccccc1)[n]1ccccc1
• Title of publication: Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2, 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in heterospin single-molecule magnets.
• Authors of publication: Karasawa, Satoru; Nakano, Kimihiro; Yoshihara, Daisuke; Yamamoto, Noriko; Tanokashira, Jun-ichi; Yoshizaki, Takahito; Inagaki, Yuji; Koga, Noboru
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5447 - 5457
• a: 9.6221 ± 0.0018 Å
• b: 17 ± 0.003 Å
• c: 18.84 ± 0.004 Å
• α: 99.1 ± 0.002°
• β: 97.125 ± 0.002°
• γ: 100.784 ± 0.002°
• Cell volume: 2951.5 ± 1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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 significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No