Information card for entry 1540381

Structure parameters

• Common name: py3trenCoNiCl
• Formula: C21 H24 Cl Co N7 Ni
• Calculated formula: C21 H24 Cl Co1.011 N7 Ni1.011
• SMILES: [Ni]123([Co]456N(c7[n]1cccc7)CC[N]5(CCN4c1[n]2cccc1)CCN6c1[n]3cccc1)Cl
• 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: 14.4536 ± 0.0005 Å
• b: 9.9877 ± 0.0003 Å
• c: 14.7366 ± 0.0006 Å
• α: 90°
• β: 101.065 ± 0.001°
• γ: 90°
• Cell volume: 2087.8 ± 0.13 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: 0.2438
• Residual factor for significantly intense reflections: 0.2094
• Weighted residual factors for significantly intense reflections: 0.4785
• Weighted residual factors for all reflections included in the refinement: 0.4978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.642
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No