Information card for entry 4307326

Structure parameters

• Formula: C7 H24 Br4 Cd Co N5 O3 S
• Calculated formula: C7 H22 Br4 Cd Co N5 O3 S
• SMILES: [Cd]1(Br)(Br)(Br)(Br)[S]2[Co]34([NH2]CC[NH2]3)([NH2]CC[NH2]4)[NH2][C@@H](C2)C(=O)O1.O
• Title of publication: Controlled Binding of al-Cysteinato Cobalt(III) Octahedron to a Cadmium(II) Center
• Authors of publication: Takashi Aridomi; Tatsuya Kawamoto; Takumi Konno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1343 - 1353
• a: 8.5719 ± 0.0015 Å
• b: 12.6077 ± 0.0016 Å
• c: 10.165 ± 0.002 Å
• α: 90°
• β: 108.481 ± 0.015°
• γ: 90°
• Cell volume: 1041.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No