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Information card for entry 4078335
Preview
Coordinates | 4078335.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H88 Li2 |
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Calculated formula | C98 H88 Li2 |
SMILES | [Li]12345678([C]9%10([C]%114([Li]4%129([C]1%10([C]24(Cc1ccccc1)[C]3%11%12Cc1ccccc1)Cc1ccccc1)[CH]1=CC=CC=C1)Cc1ccccc1)Cc1ccccc1)[c]1(Cc2ccccc2)[c]5([c]6(Cc2ccccc2)[c]7([c]81Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Pentabenzylcyclopentadienides of Lithium |
Authors of publication | Dohmeier, Carsten; Baum, Elke; Ecker, Achim; Köppe, Ralf; Schnöckel, Hansgeorg |
Journal of publication | Organometallics |
Year of publication | 1996 |
Journal volume | 15 |
Journal issue | 22 |
Pages of publication | 4702 |
a | 14.018 ± 0.009 Å |
b | 22.364 ± 0.011 Å |
c | 24.087 ± 0.014 Å |
α | 90° |
β | 101.32 ± 0.05° |
γ | 90° |
Cell volume | 7404 ± 7 Å3 |
Cell temperature | 210 ± 2 K |
Ambient diffraction temperature | 210 ± 2 K |
Number of distinct elements | 3 |
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 | 0.3228 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for all reflections | 0.1843 |
Weighted residual factors for significantly intense reflections | 0.1119 |
Goodness-of-fit parameter for all reflections | 0.956 |
Goodness-of-fit parameter for significantly intense reflections | 1.5 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKa |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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