Information card for entry 4085964

Structure parameters

• Formula: C63 H90 Co N5 O P3 Si Zr
• Calculated formula: C63 H90 Co N5 O P3 Si Zr
• SMILES: c1(c(cc(cc1C)C)C)N1[P](C(C)C)(C(C)C)[Co]23([N]#N)[Zr]41(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C)N(c1c(cc(cc1C)C)C)[P]34(C(C)C)C(C)C
• 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: 19.2253 ± 0.0007 Å
• b: 19.2253 ± 0.0007 Å
• c: 31.9514 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10227.4 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No