Information card for entry 7041948

Structure parameters

• Chemical name: Bis(1-(4-phenyl-1,3-selenazol-2-yl)-2-(pyridin-2-ylmethylene)hydrazin-1-ide- Cobalt(III) tetrafluoridoborate
• Formula: C30 H22 B Co F4 N8 Se2
• Calculated formula: C30 H22 B Co F4 N8 Se2
• SMILES: [Co]1234([n]5c(cccc5)C=[N]1N=C1[Se]C=C(c5ccccc5)N21)[n]1c(cccc1)C=[N]3N=C1[Se]C=C(c2ccccc2)N41.[B](F)(F)(F)[F-]
• Title of publication: Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues.
• Authors of publication: Filipović, Nenad R; Elshaflu, Hana; Grubišić, Sonja; Jovanović, Ljiljana S; Rodić, Marko; Novaković, Irena; Malešević, Aleksandar; Djordjević, Ivana S; Li, Haidong; Šojić, Nešo; Marinković, Aleksandar; Todorović, Tamara R
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2910 - 2924
• a: 19.7293 ± 0.0005 Å
• b: 19.7293 ± 0.0005 Å
• c: 30.589 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11906.6 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No