Information card for entry 7226704

Structure parameters

• Formula: C56 H56 Cl2 Co N8 O16
• Calculated formula: C56 H56 Cl2 Co N8 O16
• SMILES: c1cccc([n]1[Co]([n]1ccccc1/N=C/c1cc(OC)ccc1OC)([n]1ccccc1/N=C/c1cc(OC)ccc1OC)[n]1ccccc1/N=C/c1cc(OC)ccc1OC)/N=C/c1cc(OC)ccc1OC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Sensing of tryptophan by a non-toxic Cobalt(II) complex
• Authors of publication: DALAI, SUDIPTA; Jana, Swapan Kumar; Mandal, Amit; Kumar, Anoop; Puschmann, Horst; Hossain, Maidul
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.8148 ± 0.0003 Å
• b: 11.8148 ± 0.0003 Å
• c: 20.5068 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2862.53 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No