Information card for entry 1540386

Structure parameters

• Common name: (PPL)CoNiCl
• Formula: C21 H24 Cl Co N7 Ni
• Calculated formula: C21 H24 Cl Co N7 Ni
• SMILES: [Co]1234[Ni]56(Cl)[n]7c(N2CC[N]1(CCN3c1cccc[n]51)CCN4c1cccc[n]61)cccc7
• Title of publication: Configuring Bonds between First-Row Transition Metals.
• Authors of publication: Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.
• Journal of publication: Accounts of chemical research
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2885 - 2894
• a: 14.4978 ± 0.0013 Å
• b: 10.0084 ± 0.0009 Å
• c: 14.7758 ± 0.0014 Å
• α: 90°
• β: 100.944 ± 0.001°
• γ: 90°
• Cell volume: 2105 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No