Information card for entry 7033627

Structure parameters

• Common name: 14167aaa
• Chemical name: [Et4N][Cr(CO)3{6-(PhBP3)Mo(CO)3}]
• Formula: C63 H69 B Cr Mo N O7 P3
• Calculated formula: C59 H61 B Cr Mo N O6 P3
• SMILES: [Mo]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[Cr]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: 12.2709 ± 0.0017 Å
• b: 33.329 ± 0.005 Å
• c: 14.548 ± 0.002 Å
• α: 90°
• β: 92.4969 ± 0.0018°
• γ: 90°
• Cell volume: 5944.1 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No