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Information card for entry 7053413
Preview
Coordinates | 7053413.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H76 Li2 N6 |
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Calculated formula | C60 H76 Li2 N6 |
SMILES | C1C2=CC=C3C=[N](c4c(cccc4C(C)C)C(C)C)[Li]45[N]23[Li]2([N]=1c1c(cccc1C(C)C)C(C)C)[N](=CC1=CC=C(C=[N]5c3c(cccc3C(C)C)C(C)C)[N]421)c1c(cccc1C(C)C)C(C)C |
Title of publication | Dimeric complexes of lithium and sodium forming a tetrametallacyclobuta[1,2:1,4:2,3:3,4]tetracyclopentane structure |
Authors of publication | Jenter, Jelena; Roesky, Peter W. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 8 |
Pages of publication | 1541 |
a | 77.222 ± 0.015 Å |
b | 15.608 ± 0.003 Å |
c | 18.684 ± 0.004 Å |
α | 90° |
β | 96.85 ± 0.03° |
γ | 90° |
Cell volume | 22359 ± 8 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1572 |
Residual factor for significantly intense reflections | 0.091 |
Weighted residual factors for significantly intense reflections | 0.2177 |
Weighted residual factors for all reflections included in the refinement | 0.2499 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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