Information card for entry 4104662

Structure parameters

• Common name: holph04
• Formula: C70 H106 Co2 N6 Na2
• Calculated formula: C70 H106 Co2 N6 Na2
• SMILES: [Co]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[N]12[Na][N]=2([Co]2N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)[Na]1
• 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: 12.6815 ± 0.0011 Å
• b: 12.856 ± 0.0011 Å
• c: 24.425 ± 0.002 Å
• α: 88.476 ± 0.002°
• β: 88.613 ± 0.002°
• γ: 63.648 ± 0.001°
• Cell volume: 3566.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1933
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No