Information card for entry 7033626

Structure parameters

• Common name: 14161a
• Chemical name: [Et4N][Cr(CO)3{6-(PhBP3)Cr(CO)3}]
• Formula: C61 H66 B Cr2 N O6.5 P3
• Calculated formula: C61 H66 B Cr2 N O6.5 P3
• SMILES: [Cr]12([P](C[B](C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)[c]12[Cr]3456([cH]1[cH]3[cH]4[cH]5[cH]26)(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.O(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: 13.9914 ± 0.0017 Å
• b: 22.205 ± 0.003 Å
• c: 18.059 ± 0.002 Å
• α: 90°
• β: 91.07 ± 0.001°
• γ: 90°
• Cell volume: 5609.6 ± 1.2 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: 0.0345
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No