Information card for entry 7030390

Structure parameters

• Formula: C34 H46 B2 Ba N2 O2 P2
• Calculated formula: C34 H46 B2 Ba N2 O2 P2
• 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: 9.2659 ± 0.0009 Å
• b: 14.075 ± 0.0013 Å
• c: 14.932 ± 0.0015 Å
• α: 111.894 ± 0.009°
• β: 91.583 ± 0.008°
• γ: 101.013 ± 0.008°
• Cell volume: 1763.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No