Information card for entry 7023820

Structure parameters

• Formula: C66 H74 N2 Na2 O4 P2 Se2
• Calculated formula: C66 H74 N2 Na2 O4 P2 Se2
• SMILES: [Se]=P(N(C(c1ccccc1)c1ccccc1)[Na]([O]1CCCC1)[O]1CCCC1)(c1ccccc1)c1ccccc1
• 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: 10.392 ± 0.0017 Å
• b: 12.981 ± 0.002 Å
• c: 13.463 ± 0.0017 Å
• α: 109.103 ± 0.013°
• β: 107.189 ± 0.013°
• γ: 104.478 ± 0.014°
• Cell volume: 1513.7 ± 0.5 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: 0.0452
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No