Information card for entry 7114756

Structure parameters

• Formula: C19 H31 Cs N5 P
• Calculated formula: C19 H31 Cs N5 P
• Title of publication: Site-selective coordination behaviour of the Py2P—anion: the N‒C‒P-allylic system as σ- and π-donor in [(PMDETA)Cs{(μ-PPy)Py}]2 and as a μ2-σ-phosphorus-donor in [{Cp(CO)2Fe}2{(μ-P)Py2}][BMe4]
• Authors of publication: Pfeiffer, Matthias; Stey, Thomas; Jehle, Heinrich; Klüpfel, Bernd; Malisch, Wolfgang; Stalke, Dietmar; Chandrasekhar, Vadapalli
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 337
• a: 9.356 ± 0.003 Å
• b: 10.766 ± 0.003 Å
• c: 12.775 ± 0.004 Å
• α: 71.29 ± 0.03°
• β: 72.89 ± 0.03°
• γ: 83.82 ± 0.02°
• Cell volume: 1164.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No