Information card for entry 7118450

Structure parameters

• Formula: C45 H56 Cl6 F Ga N2 P2
• Calculated formula: C45 H56 Cl6 F Ga N2 P2
• SMILES: c1(n(c(c([n+]1c1c(cccc1C(C)C)C(C)C)Cl)Cl)c1c(cccc1C(C)C)C(C)C)/P=P/c1c(cccc1C(C)C)C(C)C.c1(ccccc1)F.Cl[Ga](Cl)(Cl)[Cl-]
• 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: 10.7484 ± 0.0006 Å
• b: 13.6179 ± 0.0007 Å
• c: 33.6481 ± 0.0018 Å
• α: 90°
• β: 94.25 ± 0.001°
• γ: 90°
• Cell volume: 4911.6 ± 0.5 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 7
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No