Information card for entry 7039989

Structure parameters

• Formula: C41 H52 Co N P4
• Calculated formula: C41 H52 Co N P4
• SMILES: [Co]12345(P6P7P1P67)(C#[N]c1c(c6c(C(C)C)cccc6C(C)C)cccc1c1c(cccc1C(C)C)C(C)C)[c]1([c]2([c]4([c]5([c]31C)C)C)C)C
• Title of publication: Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.
• Authors of publication: Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14561 - 14569
• a: 10.5024 ± 0.0005 Å
• b: 11.2267 ± 0.0005 Å
• c: 17.5316 ± 0.0007 Å
• α: 91.499 ± 0.001°
• β: 90.424 ± 0.002°
• γ: 110.691 ± 0.002°
• Cell volume: 1932.81 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0344
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No