Information card for entry 4320257

Structure parameters

• Formula: C150 H372 Al69 Li3 N18 O12 Si36
• Calculated formula: C150 H372 Al69 Li3 N18 O12 Si36
• SMILES: N([Si](C)(C)C)([Al]123[Al]45678[Al]9%10%11%12%13%14[Al]%15%16%17%18%19%20%21[Al]%22%23%24%25%26%27[Al]%28%29%30%31%32%339[Al]9%34%35%36[Al]%37%38%39%10%28[Al]%109(N([Si](C)(C)C)[Si](C)(C)C)[Al]9%28%31[Al]%12%37%10[Al]%10%12(N([Si](C)(C)C)[Si](C)(C)C)[Al]%31%13[Al]%13%37(N([Si](C)(C)C)[Si](C)(C)C)[Al]%40%41%42%15[Al]%15%43%44%45[Al]%46%40(N([Si](C)(C)C)[Si](C)(C)C)[Al]%402%20%42([Al]14%11%16%13)[Al]124%11%13%18[Al]%16%18%205%14%24%33[Al]5%14%24%33%22%29[Al]%22%29%42%47%48[Al]%49%50%51%52[Al]%53%30%34[Al]%30%50(N([Si](C)(C)C)[Si](C)(C)C)[Al]%34%509%22[Al]9%22%29%49%30[Al]%29%30([Al]%49%47%509[Al]9%47%50%54%55[Al]%56%23%32%42[Al]%28%109([Al]%34%47N([Si](C)(C)C)[Si](C)(C)C)[Al]9%12%31%54[Al]%10%12%23%21%26%56[Al]%17%37%41%15[Al]%15%23[Al]%17%43(N([Si](C)(C)C)[Si](C)(C)C)[Al]%21%23%26%44[Al]%28%31%32%19%251%10[Al]1%45%462%21[Al]2%23(N([Si](C)(C)C)[Si](C)(C)C)[Al]%10%19%31[Al]%1112[Al]12([Al]%11%21%23%14[Al]%51(N([Si](C)(C)C)[Si](C)(C)C)([Al]%145[Al]5%25%31%20%24[Al]%20%35%38([Al]6%165([Al]8%39%20N([Si](C)(C)C)[Si](C)(C)C)[Al]%25(N([Si](C)(C)C)[Si](C)(C)C)([Al]37%404%18)[Al]%131%11%31)[Al]%36%53%14N([Si](C)(C)C)[Si](C)(C)C)[Al]134%52%23[Al]5%27%33%32[Al]678%48%12[Al]%11%12%50([Al]%17%26%28[Al]%13%12(N([Si](C)(C)C)[Si](C)(C)C)[Al]%12%106([Al]%29%497%11%13[Al]%22%3048%12)[Al]3(N([Si](C)(C)C)[Si](C)(C)C)[Al]%192%2115)[Al]%559%15N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.[Li]([OH2])([OH2])([OH2])[OH2].[Li]([OH2])([OH2])([OH2])[OH2].[Li]([OH2])([OH2])([OH2])[OH2].c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis and Characterization of an Al693- Cluster with 51 Naked Al Atoms: Analogies and Differences to the Previously Characterized Al772- Cluster
• Authors of publication: Harald Köhnlein; Andreas Purath; Christoph Klemp; Elke Baum; Ingo Krossing; Gregor Stösser; Hansgeorg Schnöckel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4830 - 4838
• a: 29.172 ± 0.006 Å
• b: 37.665 ± 0.008 Å
• c: 31.502 ± 0.006 Å
• α: 90°
• β: 96.11 ± 0.03°
• γ: 90°
• Cell volume: 34417 ± 12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2523
• Residual factor for significantly intense reflections: 0.1296
• Weighted residual factors for significantly intense reflections: 0.3705
• Weighted residual factors for all reflections included in the refinement: 0.4279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No