Information card for entry 7046688

Structure parameters

• Chemical name: Na[P5Sn4(Ter)4(CO)]*1.5tol
• Formula: C107.5 H112 Na O P5 Sn4
• Calculated formula: C107.5 H112 Na O P5 Sn4
• SMILES: C12=[O][Na][P]34[Sn]5(P(P6[Sn]3(P2[Sn]6(P15)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(c2c(cc(cc2C)C)C)cccc1c1c(C)cc(cc1C)C)[Sn]4c1c(c2c(C)cc(C)cc2C)cccc1c1c(C)cc(C)cc1C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.Cc1ccccc1.Cc1ccccc1
• 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: 14.5008 ± 0.0004 Å
• b: 15.6338 ± 0.0004 Å
• c: 23.2169 ± 0.0006 Å
• α: 89.608 ± 0.002°
• β: 87.993 ± 0.002°
• γ: 63.64 ± 0.003°
• Cell volume: 4712.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No