Information card for entry 7020518

Structure parameters

• Formula: C62 H70 Cl4 Mo P6 Si2
• Calculated formula: C62 H70 Cl4 Mo P6 Si2
• SMILES: C(#[P][Mo]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P]#C[Si](C)C)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)[Si](C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.
• Authors of publication: Mansell, Stephen M.; Green, Michael; Russell, Christopher A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 47
• Pages of publication: 14360 - 14368
• a: 26.479 ± 0.004 Å
• b: 12.5536 ± 0.0018 Å
• c: 19.03 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6325.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2232
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No