Information card for entry 7036450

Structure parameters

• Chemical name: (2,2'-Biquinoline)-iodido-cobalt(II)
• Formula: C18 H12 Co I2 N2
• Calculated formula: C18 H12 Co I2 N2
• SMILES: I[Co]1(I)[n]2c3c(cccc3)ccc2c2[n]1c1c(cccc1)cc2
• Title of publication: Three tetracoordinate Co(ii) complexes [Co(biq)X2] (X = Cl, Br, I) with easy-plane magnetic anisotropy as field-induced single-molecule magnets.
• Authors of publication: Smolko, L.; Černák, J; Dušek, M; Miklovič, J; Titiš, J; Boča, R
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17565 - 17571
• a: 7.7734 ± 0.0002 Å
• b: 12.5186 ± 0.0004 Å
• c: 17.9276 ± 0.0007 Å
• α: 90°
• β: 101.346 ± 0.003°
• γ: 90°
• Cell volume: 1710.48 ± 0.1 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No