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Information card for entry 7029300
Preview
Coordinates | 7029300.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H42 B10 N2 Zr |
---|---|
Calculated formula | C25 H42 B10 N2 Zr |
SMILES | [Zr]123456789(N(C(=N\C%10CCCCC%10)\[C]%10%11%12%13[C]%14%15%161[BH]1%17%10[BH]%10%18%14[BH]%14%19%15[BH]%15%11%16[BH]%11%16%19[BH]%19%18%14[BH]%14%17%10[BH]%10%121[BH]%13%15%11[BH]%16%19%14%10)C1CCCCC1)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91 |
Title of publication | Novel inorganic heterocycles from dimetalated carboranylamidinates. |
Authors of publication | Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 13 |
Pages of publication | 5001 - 5013 |
a | 10.4438 ± 0.0004 Å |
b | 10.7747 ± 0.0004 Å |
c | 13.2968 ± 0.0006 Å |
α | 107.827 ± 0.004° |
β | 96.672 ± 0.004° |
γ | 93.456 ± 0.003° |
Cell volume | 1407.49 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0392 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.0967 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7029300.html
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Users of the data should acknowledge the original authors of the
structural data.