Information card for entry 7041441

Structure parameters

• Common name: tBuPOCOPNiWp_Noel
• Formula: C30 H44 Ni O5 P2 W
• Calculated formula: C30 H44 Ni O5 P2 W
• SMILES: [W]1234(C#[O][Ni]56[P](Oc7c6c(O[P]5(C(C)(C)C)C(C)(C)C)ccc7)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]5[cH]2[cH]1[cH]4[cH]35
• Title of publication: Fundamental organometallic chemistry under bimetallic influence: driving β-hydride elimination and diverting migratory insertion at Cu and Ni.
• Authors of publication: Mazzacano, Thomas J.; Leon, Noel J.; Waldhart, Greyson W.; Mankad, Neal P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5518 - 5521
• a: 8.0617 ± 0.0008 Å
• b: 11.4269 ± 0.0011 Å
• c: 18.1147 ± 0.0015 Å
• α: 103.562 ± 0.003°
• β: 95.996 ± 0.003°
• γ: 94.204 ± 0.003°
• Cell volume: 1605 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.796
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No