Information card for entry 7016188

Structure parameters

• Formula: C176 H256 Cl4 Li8 N44 Si16 Sn8
• Calculated formula: C176 H256 Cl4 Li8 N44 Si16 Sn8
• SMILES: C[Si](C)(C)N([Si](C)(C)C)[Sn]1n2c3c(cccc3)[n]3[n]2[Li]24[Cl]56[Li]78[Cl][Sn](n9c%10c(cccc%10)[n]([Li]%106[n]6c%11c(cccc%11)n%11[n]6[Li]6([Cl]%12%13[Li]([n]%14c%15c(cccc%15)n1[n]2%14)([n]1c2c(cccc2)n2[n]1[Li]%13([Cl][Sn]2N([Si](C)(C)C)[Si](C)(C)C)[n]1c%13c(n%14[n]1[Li]1%12[n]2n(c%12c(cccc%12)[n]2[Li]25[n]5n(c%12c(cccc%12)[n]15)[Sn](N([Si](C)(C)C)[Si](C)(C)C)n1c5c(cccc5)[n]8[n]21)[Sn]%14N([Si](C)(C)C)[Si](C)(C)C)cccc%13)[n]1c2c(cccc2)n([n]41)[Sn]3N([Si](C)(C)C)[Si](C)(C)C)[n]1n(c2c(cccc2)[n]%101)[Sn](N([Si](C)(C)C)[Si](C)(C)C)n1c2c(cccc2)[n]([n]61)[Sn]%11N([Si](C)(C)C)[Si](C)(C)C)[n]79)N([Si](C)(C)C)[Si](C)(C)C.c1c(cccc1)C.c1c(cccc1)C.c1c(cccc1)C.c1c(cccc1)C.c1c(cccc1)C.c1c(cccc1)C.c1c(cccc1)C.c1c(cccc1)C
• Title of publication: Benzotriazolate cage complexes of tin(ii) and lithium: halide-influenced serendipitous assembly.
• Authors of publication: Sulway, Scott A.; Layfield, Richard A.; Bodensteiner, Michael; Scheuermayer, Sabine; Scheer, Manfred; Zabel, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7559 - 7563
• a: 18.3637 ± 0.0006 Å
• b: 21.5801 ± 0.0006 Å
• c: 30.833 ± 0.0007 Å
• α: 93.165 ± 0.002°
• β: 98.775 ± 0.002°
• γ: 112.991 ± 0.003°
• Cell volume: 11027.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No