Information card for entry 4306758

Structure parameters

• Formula: C55 H83 Co
• Calculated formula: C55 H83 Co
• SMILES: [Co]12345(c6c(c(cc(c6c6c(cc(cc6C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c6c(cc(cc6C(C)C)C(C)C)C(C)C)[c]6([cH]5[cH]4[cH]3[cH]2[cH]16)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: 30.4 ± 0.002 Å
• b: 10.9345 ± 0.0008 Å
• c: 14.7054 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4888.2 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No