Information card for entry 4346692

Structure parameters

• Formula: C21 H24 Cl Co Cu N7
• Calculated formula: C21 H24 Cl Co Cu N7
• SMILES: [Cu]123([Co]456N(c7[n]1cccc7)CC[N]4(CCN5c1[n]2cccc1)CCN6c1[n]3cccc1)Cl
• Title of publication: Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes.
• Authors of publication: Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11330 - 11338
• a: 14.6118 ± 0.0009 Å
• b: 9.9196 ± 0.0006 Å
• c: 14.6848 ± 0.0009 Å
• α: 90°
• β: 101.347 ± 0.001°
• γ: 90°
• Cell volume: 2086.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No