Information card for entry 7023818

Structure parameters

• Formula: C29 H30 N O P Se
• Calculated formula: C29 H30 N O P Se
• SMILES: [Se]=P(NC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba).
• Authors of publication: Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4947 - 4956
• a: 9.4326 ± 0.0008 Å
• b: 14.8835 ± 0.0014 Å
• c: 20.239 ± 0.002 Å
• α: 90°
• β: 116.921 ± 0.007°
• γ: 90°
• Cell volume: 2533.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No