Information card for entry 2232941

Structure parameters

• Chemical name: Bis(2,4-dioxo-5,5-diphenylimidazolidinido-κ<i>N</i>^3^)bis(propane-1,3- diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)
• Formula: C36 H42 Co N8 O4
• Calculated formula: C36 H42 Co N8 O4
• SMILES: C1(=O)NC(C(=O)N1[Co]12([NH2]CCC[NH2]1)(N1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)[NH2]CCC[NH2]2)(c1ccccc1)c1ccccc1
• Title of publication: Bis(2,4-dioxo-5,5-diphenylimidazolidinido-κ<i>N</i>^3^)bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)
• Authors of publication: Hu, Xilan; Jiang, Qing; Wang, Daqi; Liu, Haifeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1885
• a: 10.0368 ± 0.0012 Å
• b: 8.7865 ± 0.0009 Å
• c: 20.684 ± 0.002 Å
• α: 90°
• β: 102.363 ± 0.002°
• γ: 90°
• Cell volume: 1781.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes