Information card for entry 7103664

Structure parameters

• Formula: C50 H95 N6 Na2 P3 Sn3
• Calculated formula: C49.994 H95 N5.996 Na2 P3 Sn3
• SMILES: [N]1(CC[N]2(CC[N]([Na]312[P]1(C2CCCCC2)[Sn]2[P](C4CCCCC4)[Sn][P]3([Sn]1[Na]213[N](C)(C)CC[N]1(C)CC[N]3(C)C)C1CCCCC1)(C)C)C)(C)C.c1ccccc1C.c1c(cccc1)C
• Title of publication: Synthesis and structure of [{Sn(μ‒PCy)}3(Na·PMDETA)2], containing an electron-deficient [{Sn(μ‒PCy)}3]2- dianion
• Authors of publication: Alvarez-Bercedo, Paula; Bond, Andrew D.; Haigh, Robert; Hopkins, Alexander D.; Lawson, Gavin T.; McPartlin, Mary; Moncrieff, David; Gonzalez Mosquera, Marta E.; Rawson, Jeremy M.; Woods, Anthony D.; Wright, Dominic S.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 1288 - 1289
• a: 19.3877 ± 0.0002 Å
• b: 13.2005 ± 0.0002 Å
• c: 26.5244 ± 0.0004 Å
• α: 90°
• β: 109.761 ± 0.001°
• γ: 90°
• Cell volume: 6388.56 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No