Information card for entry 7225021

Structure parameters

• Formula: C29 H47 Br6 Co N13 Zn2
• Calculated formula: C29 H47 Br6 Co N13 Zn2
• SMILES: [Co]123(Br)[N](Cn4[n]1c(cc4C)C)(Cn1[n]2c(cc1C)C)Cn1[n]3c(cc1C)C.[Zn](Br)(Br)([n]1[nH]c(cc1C)C)[N]12CN3CN(C1)C[N]([Zn](Br)(Br)Br)(C2)C3
• Title of publication: A family of complexes with N scorpionate- type and other N-donor ligands obtained in situ from pyrazole derivative and zerovalent cobalt. Physicochemical and cytotoxicity studies.
• Authors of publication: Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.7475 ± 0.0003 Å
• b: 26.5384 ± 0.0011 Å
• c: 18.0526 ± 0.0008 Å
• α: 90°
• β: 93.994 ± 0.004°
• γ: 90°
• Cell volume: 4180.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.1105
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No