Information card for entry 2003384

Structure parameters

• Chemical name: tris[2,3-di(trimethylsilyl)-2,3-dicarba-1-lithia-closo- heptaborane-1κO;4κTb;5κ^2^Tb;6κTb]-tris[2,3-di(trimethylsilyl)-2,3-dicarba- 1-terba-closo-heptaborane-1κO';1κ^4^B;4κLi;5κ^2^Li;6κLi]-tris-μ~4~- tetrahydrofuranyllithium-μ~3~-methoxy-μ~3~-oxide
• Formula: C67 H165 B24 Li6 O5 Si12 Tb3
• Calculated formula: C67 H165 B24 Li6 O5 Si12 Tb3
• SMILES: [Tb]123456789[O]%10[Tb]%11%12%13%14%15%16%17%18[BH]%19%20%21[Li]%22%23%24([O]%25([Li]%26%27%28%29[C]%30%31([Si](C)(C)C)[C]%32%26([Si](C)(C)C)[BH]%26%33%27[Tb]%27%34%35%36%37%10([BH]%10%17%28%26[BH]%18%29%30[BH]%31%32%33%10)([C]%10%17([Si](C)(C)C)[C]%18%27([Si](C)(C)C)[BH]%26%27%34[Li]%28%29([BH]%30%31%324[Li]4([BH]%333%30[C]32([Si](C)(C)C)[C]21([Si](C)(C)C)[BH]5%28%31[BH]%32%3332)([BH]123%15[BH]5%14([Li]%141([BH]1%35%26%29[BH]%36%10%14[BH]%17%18%271)[O]1CCCC1)[C]1%13([Si](C)(C)C)[C]%10%12([Si](C)(C)C)[BH]%1642[BH]351%10)[O]1CCCC1)[O]1CCCC1)[BH]1239[Li]459%25[C]%10%12([Si](C)(C)C)[C]%134([Si](C)(C)C)[BH]815[BH]3%12%13[BH]%3729%10)C)[C]12([Si](C)(C)C)[C]%19%22([Si](C)(C)C)[BH]3%212[BH]6%11%20%23[BH]7%2413.c1ccccc1
• Title of publication: A Trinuclear Terbium(III)‒Carborane Cluster, [C~61~H~159~B~24~Li~6~O~5~Si~12~Tb~3~].C~6~H~6~
• Authors of publication: Zhang, H.; Oki, A. R.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 635 - 638
• a: 15.976 ± 0.004 Å
• b: 16.627 ± 0.004 Å
• c: 23.67 ± 0.006 Å
• α: 90.08 ± 0.02°
• β: 89.97 ± 0.02°
• γ: 69.16 ± 0.02°
• Cell volume: 5876 ± 3 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.0737
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No