Information card for entry 7030386

Structure parameters

• Formula: C26 H26 N2 P2 Se2
• Calculated formula: C26 H26 N2 P2 Se2
• SMILES: c1(ccccc1)P(c1ccccc1)(NCCNP(c1ccccc1)(c1ccccc1)=[Se])=[Se]
• 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: 23.2423 ± 0.0012 Å
• b: 12.061 ± 0.0007 Å
• c: 9.2715 ± 0.0005 Å
• α: 90°
• β: 102.372 ± 0.006°
• γ: 90°
• Cell volume: 2538.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No