Information card for entry 7700184

Structure parameters

• Formula: C18 H27 N6 P
• Calculated formula: C18 H27 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: 8.1293 ± 0.0016 Å
• b: 8.6311 ± 0.0017 Å
• c: 15.582 ± 0.003 Å
• α: 77.76 ± 0.03°
• β: 86.99 ± 0.03°
• γ: 66.4 ± 0.03°
• Cell volume: 978.5 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No