Information card for entry 4341375

Structure parameters

• Formula: C62 H88 K N4 Ni2 O5
• Calculated formula: C62 H88 K N4 Ni2 O5
• SMILES: [Ni]12345[n]6c(C(=[N]2c2c(cccc2C(C)C)C(C)C)C)ccc2ccc7C(=[N]([Ni]891([n]7c62)[CH]1=[CH]5[CH]4=[CH]3[CH]9=[CH]81)c1c(cccc1C(C)C)C(C)C)C.[K]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.
• Authors of publication: Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11770 - 11777
• a: 12.3999 ± 0.0002 Å
• b: 18.4432 ± 0.0004 Å
• c: 26.8173 ± 0.0007 Å
• α: 90°
• β: 102.62 ± 0.001°
• γ: 90°
• Cell volume: 5984.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0954
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No