Information card for entry 4332473

Structure parameters

• Chemical name: Tetrakis[(1,4,7,10,13,16-Hexaoxacyclooctadecan)Rubidium] Tetradekaarsenide-Ammonia(1/6)
• Formula: C48 H114 As14 N6 O24 Rb4
• Calculated formula: C48 H114 As14 N6 O24 Rb4
• SMILES: N.[NH3][Rb]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.N.[As]12[As]([As]3[As]([As-]1)[As]3[As-]2)[As]1[As]2[As-][As]3[As]1[As]3[As-]2.[Rb]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.N.[NH3][Rb]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.N.[Rb]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Dimers of Heptapnictide Anions: As144-and P144-in the Crystal Structures of [Rb(18-crown-6)]4As14·6NH3and [Li(NH3)4]4P14·NH3
• Authors of publication: Hanauer, Tobias; Aschenbrenner, Jürgen C.; Korber, Nikolaus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6723 - 6727
• a: 10.415 ± 0.001 Å
• b: 17.291 ± 0.001 Å
• c: 25.573 ± 0.002 Å
• α: 90°
• β: 100.64 ± 0.01°
• γ: 90°
• Cell volume: 4526.2 ± 0.6 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: 0.0541
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No