Information card for entry 7030387

Structure parameters

• Formula: C34 H42 N2 O2 P2 Se2
• Calculated formula: C34 H42 N2 O2 P2 Se2
• SMILES: C(NP(c1ccccc1)(=[Se])c1ccccc1)CNP(c1ccccc1)(c1ccccc1)=[Se].O1CCCC1.O1CCCC1
• Title of publication: Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.
• Authors of publication: Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8757 - 8766
• a: 16.5026 ± 0.0005 Å
• b: 11.4432 ± 0.0003 Å
• c: 18.3315 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3461.77 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No