Information card for entry 1573272

Structure parameters

• Formula: C42 H58 Al2 Cl12 Fe P4
• Calculated formula: C42 H58 Al2 Cl12 Fe P4
• SMILES: [Fe]123456789[c]%10([P+]%11(P%12[P+](P%11%12)(c%11c(cc(cc%11C(C)C)C(C)C)C(C)C)[c]%112[cH]1[cH]8[cH]3[cH]6%11)c1c(C(C)C)cc(C(C)C)cc1C(C)C)[cH]5[cH]7[cH]4[cH]9%10.[Al](Cl)(Cl)(Cl)[Cl-].[Cl-][Al](Cl)(Cl)Cl.ClCCl.ClCCl
• Title of publication: P⁺ addition and transfer involving a tetraphosphenium ion.
• Authors of publication: Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 139 - 146
• a: 9.2572 ± 0.0009 Å
• b: 16.6386 ± 0.0016 Å
• c: 18.679 ± 0.0018 Å
• α: 96.852 ± 0.008°
• β: 99.363 ± 0.008°
• γ: 94.47 ± 0.008°
• Cell volume: 2804.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1954
• Residual factor for significantly intense reflections: 0.1378
• Weighted residual factors for significantly intense reflections: 0.3601
• Weighted residual factors for all reflections included in the refinement: 0.4083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No