Information card for entry 7046686

Structure parameters

• Chemical name: [Na(18-crown-6)2(THF)][P5Sn4(Ter)4]*3C6H6
• Formula: C142 H174 Na O13 P5 Sn4
• Calculated formula: C142 H174 Na O13 P5 Sn4
• SMILES: [O]12CC[O]3CC[O]4[Na]5623([O](CC[O]5CC[O]6CC4)CC1)([O]1CCCC1)[O]1CCOCCOCCOCCOCCOCC1.[P]123P4P5P(P1[Sn]5(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Sn]3c1c(c3c(cc(cc3C)C)C)cccc1c1c(cc(C)cc1C)C)[Sn]4([Sn]2c1c(c2c(C)cc(C)cc2C)cccc1c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: The heterocubane [TerSnAs]₄.
• Authors of publication: Hinz, Alexander; Goicoechea, Jose M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 8879 - 8883
• a: 26.2345 ± 0.0004 Å
• b: 18.0987 ± 0.0002 Å
• c: 29.6611 ± 0.0004 Å
• α: 90°
• β: 106.37 ± 0.002°
• γ: 90°
• Cell volume: 13512.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No