Information card for entry 7026708

Structure parameters

• Common name: 1,3-Di-tert-butyl-2,4-bis(2-diphenylphosphanyl-phenoxy)- (1,3,2,4)diazdiphosphetidine
• Chemical name: 1,3-Di-tert-butyl-2,4-bis(2-diphenylphosphanyl- phenoxy)-[1,3,2,4]diazdiphosphetidine
• Formula: C44 H46 N2 O2 P4
• Calculated formula: C44 H46 N2 O2 P4
• SMILES: P(c1ccccc1)(c1ccccc1)c1ccccc1OP1N(P(Oc2ccccc2P(c2ccccc2)c2ccccc2)N1C(C)(C)C)C(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: 9.0077 ± 0.0008 Å
• b: 29.659 ± 0.003 Å
• c: 15.362 ± 0.001 Å
• α: 90°
• β: 104.984 ± 0.001°
• γ: 90°
• Cell volume: 3964.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No