Information card for entry 7033623

Structure parameters

• Common name: 14145a
• Chemical name: [Et4N][W(CO)3{6-(PhBP3)W(CO)3}]
• Formula: C59 H61 B N O6 P3 W2
• Calculated formula: C59 H61 B N O6 P3 W2
• SMILES: [W]12(C#[O])(C#[O])(C#[O])[P](C[B](C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)[c]12[cH]3[cH]4[cH]5[cH]6[cH]1[W]23456(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.
• Authors of publication: Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3737 - 3744
• a: 12.0742 ± 0.0011 Å
• b: 13.3231 ± 0.0012 Å
• c: 17.7935 ± 0.0016 Å
• α: 90°
• β: 108.128 ± 0.001°
• γ: 90°
• Cell volume: 2720.3 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No