Information card for entry 4085963

Structure parameters

• Formula: C50 H80 Co N4 O P3 Zr
• Calculated formula: C50 H80 Co N4 O P3 Zr
• SMILES: [Zr]1234[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](N4c1c(cc(cc1C)C)C)(C(C)C)C(C)C)(O3)[n]1ccccc1
• 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: 18.8355 ± 0.0008 Å
• b: 12.6556 ± 0.0006 Å
• c: 22.5216 ± 0.001 Å
• α: 90°
• β: 108.591 ± 0.002°
• γ: 90°
• Cell volume: 5088.4 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No