Information card for entry 7000893

Structure parameters

• Formula: C38 H50 Cl4 Co2 N12 O3
• Calculated formula: C38 H50 Cl4 Co2 N12 O3
• SMILES: [Co]12(Cl)[N]3CCNC=3c3cc(ccc3)C3=[N]([Co](Cl)([N]4CCNC=4c4cccc(c4)C4=[N]1CCN4)[N]1CCNC=1c1cccc(c1)C1=[N]2CCN1)CCN3.[Cl-].[Cl-].O.OC.OC
• Title of publication: Syntheses, crystal structures and magnetic properties of three novel cobalt(ii) complexes containing imidazole derivative groups
• Authors of publication: Yang, Hong; Chen, Jia-Min; Sun, Jing-Jia; Yang, Shi-Ping; Yu, Jie; Tan, Hong; Li, Wei
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2540 - 2551
• a: 10.9775 ± 0.0012 Å
• b: 14.3746 ± 0.0017 Å
• c: 14.7491 ± 0.0017 Å
• α: 78.341 ± 0.002°
• β: 88.92 ± 0.002°
• γ: 74.691 ± 0.002°
• Cell volume: 2197 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No