Information card for entry 4072344

Structure parameters

• Formula: C25 H33 Br2 Cl Co N3 O P2
• Calculated formula: C25 H31 Br2 Cl Co N3 O P2
• SMILES: O1[Co]2(Cl)([P](C)(C)C)([P](C)(C)C)[N](=Nc3ccc(Br)cc23)c2cc(ccc12)C.Brc1ccc(N)cc1
• Title of publication: N-Assisted Carbon−Hydrogen Bond Activation by Cobalt(I) Complexes
• Authors of publication: Wang, Aichen; Sun, Hongjian; Li, Xiaoyan
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5434
• a: 8.834 ± 0.0009 Å
• b: 9.4939 ± 0.001 Å
• c: 18.3764 ± 0.0019 Å
• α: 84.975 ± 0.002°
• β: 78.725 ± 0.002°
• γ: 88.533 ± 0.002°
• Cell volume: 1505.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No