Information card for entry 4346693

Structure parameters

• Common name: Py3trenCoCuACN
• Formula: C29 H36 Co Cu N11
• Calculated formula: C29 H36 Co Cu N11
• SMILES: [Co]1234[Cu]56([n]7c(N2CC[N]1(CCN3c1[n]5cccc1)CCN4c1[n]6cccc1)cccc7)[N]#CC.N#CC.N#CC.N#CC
• 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: 10.9862 ± 0.0003 Å
• b: 29.3334 ± 0.0008 Å
• c: 10.0177 ± 0.0003 Å
• α: 90°
• β: 109.553 ± 0.001°
• γ: 90°
• Cell volume: 3042.16 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.357
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No