Information card for entry 7236241

Structure parameters

• Formula: C31 H33 N2 P Se
• Calculated formula: C31 H33 N2 P Se
• Title of publication: Calcium complexes with imino-phosphinanilido chalcogenide ligands for heterofunctionalisation catalysis
• Authors of publication: Anga, Srinivas; Carpentier, Jean-François; Panda, Tarun K.; Roisnel, Thierry; Sarazin, Yann
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 63
• Pages of publication: 57835
• a: 13.4929 ± 0.0002 Å
• b: 15.4584 ± 0.0002 Å
• c: 16.6251 ± 0.0004 Å
• α: 90°
• β: 123.758 ± 0.001°
• γ: 90°
• Cell volume: 2882.97 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No