Information card for entry 7014512

Structure parameters

• Common name: (K(2,2,2-crypt))2(TlP7)*py
• Chemical name: [K(2,2,2-crypt)]2[TlP7]*py
• Formula: C41 H77 K2 N5 O12 P7 Tl
• Calculated formula: C41 H77 K2 N5 O12 P7 Tl
• SMILES: [K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.n1ccccc1.[Tl]1P2P3P1P1P2P1[P-]3
• Title of publication: A versatile salt-metathesis route to heteroatomic clusters derived from phosphorus and arsenic Zintl anions.
• Authors of publication: Knapp, Caroline M.; Large, Joseph S.; Rees, Nicholas H.; Goicoechea, Jose M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 735 - 745
• a: 12.1833 ± 0.0001 Å
• b: 20.501 ± 0.0002 Å
• c: 25.6093 ± 0.0003 Å
• α: 66.999 ± 0.001°
• β: 79.25 ± 0.001°
• γ: 87.895 ± 0.001°
• Cell volume: 5779.95 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No