Information card for entry 4085966

Structure parameters

• Formula: C76 H101 Co N5 O P3 Si Zr
• Calculated formula: C76 H101 Co N5 O P3 Si Zr
• SMILES: [Zr]123([Co]([P](N1c1c(cc(cc1C)C)C)(C(C)C)C(C)C)([P](N2c1c(cc(cc1C)C)C)(C(C)C)C(C)C)([P](N3c1c(cc(cc1C)C)C)(C(C)C)C(C)C)NN=C(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex
• Authors of publication: Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3159
• a: 15.4086 ± 0.0012 Å
• b: 15.4255 ± 0.0013 Å
• c: 17.9455 ± 0.0015 Å
• α: 67.337 ± 0.006°
• β: 77.173 ± 0.006°
• γ: 79.696 ± 0.006°
• Cell volume: 3817.1 ± 0.6 ų
• Cell temperature: 135 K
• Ambient diffraction temperature: 135 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: 0.106
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No