Information card for entry 4301531

Structure parameters

• Chemical name: Bis(cesium 18-crown-6) catena-trihydrogentriphosphide ammonia(1/7)
• Formula: C24 H72 Cs2 N7 O12 P3
• Calculated formula: C24 H66 Cs2 N7 O12 P3
• SMILES: [Cs]12345([NH3])[O]6CC[O]2CC[O]3CC[O]5CC[O]4CC[O]1CC6.[Cs]12345([NH3])[O]6CC[O]2CC[O]3CC[O]5CC[O]4CC[O]1CC6.N.N.N.N.N.[PH-]P[PH-]
• Title of publication: Hydrogen Polyphosphides P3H23- and P3H32-: Synthesis and Crystal Structure of K3(P3H2).2.3NH3, Rb3(P3H2).NH3, [Rb(18-crown-6)]2(P3H3).7.5NH3, and [Cs(18-crown-6)]2(P3H3).7NH3
• Authors of publication: Florian Kraus; Jürgen C. Aschenbrenner; T. Klamroth; Nikolaus Korber
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1911 - 1919
• a: 10.1662 ± 0.0007 Å
• b: 30.577 ± 0.002 Å
• c: 14.911 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4635.1 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0798
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No