Information card for entry 4338913

Structure parameters

• Common name: [Na(12c4)][(Ar[Np]N)3Nb=P-W(CO)5]
• Formula: C60 H92 N3 Na Nb O13 P W
• Calculated formula: C60 H92 N3 Na Nb O13 P W
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P]#[Nb](N(c1cc(C)cc(C)c1)CC(C)(C)C)(N(c1cc(C)cc(C)c1)CC(C)(C)C)N(CC(C)(C)C)c1cc(C)cc(C)c1.[O]12CC[O]3[Na]45672([O](CC[O]4CC1)CC3)[O]1CC[O]5CC[O]6CC[O]7CC1
• Title of publication: Ethylenebis(triphenylphosphine)platinum as a probe for niobium-mediated diphosphorus chemistry.
• Authors of publication: Piro, Nicholas A.; Cummins, Christopher C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7387 - 7393
• a: 13.2971 ± 0.0003 Å
• b: 19.6681 ± 0.0007 Å
• c: 25.3876 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6639.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No