Information card for entry 4108076

Structure parameters

• Common name: {Et2ONa}{[W(CO)5]2(cyclo-P3)Nb(N[Np]Ar)3} (C6H6)
• Formula: C59 H76 N3 Na Nb O11 P3 W2
• Calculated formula: C59 H76 N3 Na Nb O11 P3 W2
• SMILES: N(c1cc(C)cc(C)c1)(CC(C)(C)C)[Nb]12(N(c3cc(C)cc(c3)C)CC(C)(C)C)(N(c3cc(cc(c3)C)C)CC(C)(C)C)P3[P]1([P]23[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O].[Na+].O(CC)CC.c1ccccc1
• Title of publication: P2Addition to Terminal Phosphide M\τbP Triple Bonds: A Rational Synthesis of cyclo-P3 Complexes
• Authors of publication: Nicholas A. Piro; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9524 - 9535
• a: 12.145 ± 0.003 Å
• b: 13.565 ± 0.003 Å
• c: 22.695 ± 0.006 Å
• α: 106.235 ± 0.004°
• β: 91.068 ± 0.004°
• γ: 94.536 ± 0.004°
• Cell volume: 3575.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.097
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No