Information card for entry 7118451

Structure parameters

• Formula: C53 H61 Cl3 F7 N2 O3 P2 S
• Calculated formula: C53 H61 Cl3 F7 N2 O3 P2 S
• Title of publication: [((Cl)Im(Dipp))P[double bond, length as m-dash]P(Dipp)][GaCl4]: a polarized, cationic diphosphene.
• Authors of publication: Schwedtmann, Kai; Holthausen, Michael H.; Sala, Chris H.; Hennersdorf, Felix; Fröhlich, Roland; Weigand, Jan J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1409 - 1412
• a: 12.2639 ± 0.0002 Å
• b: 12.5384 ± 0.0002 Å
• c: 36.3192 ± 0.0007 Å
• α: 90°
• β: 99.262 ± 0.001°
• γ: 90°
• Cell volume: 5511.98 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.077
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No