Information card for entry 7026710

Structure parameters

• Common name: tert-Butyl-(1,3-di-tert-butyl-4-(2- diphenythiophosphorylphenoxy)-2,4-dithio-(1,3,2,4)diazadiphosphetidin-2- yl)amine
• Chemical name: tert-Butyl-[1,3-di-tert-butyl-4-(2-diphenythiophosphorylphenoxy)- 2,4-dithio-[1,3,2,4]diazadiphosphetidin-2-yl)amine
• Formula: C30 H42 N3 O P3 S3
• Calculated formula: C30 H42 N3 O P3 S3
• SMILES: P1(=S)(N(P(=S)(Oc2ccccc2P(=S)(c2ccccc2)c2ccccc2)N1C(C)(C)C)C(C)(C)C)NC(C)(C)C
• Title of publication: Transition metal chemistry of cyclodiphosphanes containing phosphine and amide-phosphine functionalities: formation of a stable dipalladium(II) complex containing a Pd-P σ-bond.
• Authors of publication: Balakrishna, Maravanji S.; Venkateswaran, Ramalingam; Mague, Joel T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 46
• Pages of publication: 11149 - 11162
• a: 14.0885 ± 0.0009 Å
• b: 14.8388 ± 0.001 Å
• c: 16.1937 ± 0.0011 Å
• α: 90.134 ± 0.001°
• β: 97.004 ± 0.001°
• γ: 90.529 ± 0.001°
• Cell volume: 3360 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No