Information card for entry 7700175

Structure parameters

• Formula: C22 H19 N6 P
• Calculated formula: C22 H19 N6 P
• Title of publication: Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.
• Authors of publication: Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15397 - 15407
• a: 17.416 ± 0.004 Å
• b: 8.439 ± 0.0017 Å
• c: 40.806 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5997 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No