Information card for entry 7125110

Structure parameters

• Formula: C31 H55 Cr Fe P5 Si
• Calculated formula: C31 H55 Cr Fe P5 Si
• Title of publication: Triple-decker sandwich complexes with a bent cyclo-P₅ middle-deck.
• Authors of publication: Mädl, Eric; Peresypkina, Eugenia; Timoshkin, Alexey Y.; Scheer, Manfred
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 83
• Pages of publication: 12298 - 12301
• a: 19.9256 ± 0.0002 Å
• b: 11.6275 ± 0.0001 Å
• c: 16.4157 ± 0.0002 Å
• α: 90°
• β: 106.491 ± 0.001°
• γ: 90°
• Cell volume: 3646.82 ± 0.07 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0308
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No