Information card for entry 2212336

Structure parameters

• Chemical name: cis-(Diethylenetriamine)bis(5,5-diphenylhydantoinato-κN^3^)acetatocobalt(III)
• Formula: C36 H38 Co N7 O6
• Calculated formula: C36 H38 Co N7 O6
• SMILES: [Co]12(N3C(=O)NC(C3=O)(c3ccccc3)c3ccccc3)(N3C(=O)NC(C3=O)(c3ccccc3)c3ccccc3)([NH2]CC[NH]1CC[NH2]2)OC(=O)C
• Title of publication: <i>cis</i>-Acetato(diethylenetriamine)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)cobalt(III)
• Authors of publication: Xi-Lan Hu; Xing-You Xu; Da-Qi Wang; Hai-Feng Liu; Fu-Jun Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m405 - m406
• a: 24.389 ± 0.003 Å
• b: 12.633 ± 0.0002 Å
• c: 24.632 ± 0.0003 Å
• α: 90°
• β: 115.123 ± 0.002°
• γ: 90°
• Cell volume: 6871.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes