Information card for entry 4104814

Structure parameters

• Common name: holkd18
• Chemical name: potassium (diketiminate)cobalt(I) hydride
• Formula: C78 H123 Co2 K2 N4
• Calculated formula: C78 H123 Co2 K2 N4
• SMILES: [CoH]1N(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.[K+].CCCCC.c1ccccc1
• Title of publication: Three-Coordinate and Four-Coordinate Cobalt Hydride Complexes That React with Dinitrogen
• Authors of publication: Keying Ding; William W. Brennessel; Patrick L. Holland
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10804 - 10805
• a: 14.078 ± 0.002 Å
• b: 15.47 ± 0.002 Å
• c: 19.469 ± 0.003 Å
• α: 75.232 ± 0.002°
• β: 69.676 ± 0.002°
• γ: 77.776 ± 0.002°
• Cell volume: 3809.1 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0865
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No