Information card for entry 7021352

Structure parameters

• Formula: C78 H72.5 F6 N9 O6.25 P Zn3
• Calculated formula: C78 H72.5 F6 N9 O6.25 P Zn3
• Title of publication: Supramolecular bulky phosphines comprising 1,3,5-triaza-7-phosphaadamantane and Zn(salphen)s: structural features and application in hydrosilylation catalysis.
• Authors of publication: Anselmo, Daniele; Gramage-Doria, Rafael; Besset, Tatiana; Escárcega-Bobadilla, Martha V; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Reek, Joost N. H.; Kleij, Arjan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7595 - 7603
• a: 18.1552 ± 0.0004 Å
• b: 31.5457 ± 0.0008 Å
• c: 25.2433 ± 0.0007 Å
• α: 90°
• β: 105.482 ± 0.001°
• γ: 90°
• Cell volume: 13932.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No