Information card for entry 4104663

Structure parameters

• Common name: holkd14
• Formula: C70 H106 Co2 K2 N6
• Calculated formula: C70 H106 Co2 K2 N6
• SMILES: [K+].[K+].[N]([Co]1N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)#[N][Co]1N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Cobalt-Dinitrogen Complexes with Weakened N-N Bonds
• Authors of publication: Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9471 - 9472
• a: 22.557 ± 0.004 Å
• b: 21.451 ± 0.004 Å
• c: 15.372 ± 0.003 Å
• α: 90°
• β: 100.242 ± 0.002°
• γ: 90°
• Cell volume: 7320 ± 2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No