Information card for entry 4306756

Structure parameters

• Formula: C48 H75 Co N4 O4
• Calculated formula: C48 H75 Co N4 O4
• SMILES: [Co]1(N=O)(N=O)[O]=N(=NO1)c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCCCCC
• Title of publication: An Arene-Stabilized Cobalt(I) Aryl: Reactions with CO and NO
• Authors of publication: Hao Lei; Bobby D. Ellis; Chengbao Ni; Fernande Grandjean; Gary J. Long; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10205 - 10207
• a: 9.533 ± 0.003 Å
• b: 25.39 ± 0.008 Å
• c: 20.019 ± 0.007 Å
• α: 90°
• β: 97.844 ± 0.005°
• γ: 90°
• Cell volume: 4800 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.267
• Residual factor for significantly intense reflections: 0.1849
• Weighted residual factors for significantly intense reflections: 0.4472
• Weighted residual factors for all reflections included in the refinement: 0.4948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No