Information card for entry 7023821

Structure parameters

• Formula: C66 H74 N2 O4 P2 Se2 Sr
• Calculated formula: C66 H74 N2 O4 P2 Se2 Sr
• SMILES: [Sr]12([Se]P(c3ccccc3)(=[N]1C(c1ccccc1)c1ccccc1)c1ccccc1)([Se]P(c1ccccc1)(=[N]2C(c1ccccc1)c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.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: 10.191 ± 0.005 Å
• b: 10.912 ± 0.005 Å
• c: 14.641 ± 0.005 Å
• α: 99.369 ± 0.005°
• β: 101.195 ± 0.005°
• γ: 103.621 ± 0.005°
• Cell volume: 1514.7 ± 1.1 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: 0.0503
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No