Information card for entry 4073303
Formula |
C40 H54 B4 Cd N4 |
Calculated formula |
C40 H54 B4 Cd N4 |
SMILES |
[Cd](C1(C)B(N(N(C(C)C)B1c1ccccc1)C(C)C)c1ccccc1)C1(C)B(N(N(C(C)C)B1c1ccccc1)C(C)C)c1ccccc1 |
Title of publication |
Zinc, Cadmium, and Mercury Metallocenes Incorporating 1,2-Diaza-3,5-diborolyl Ligands |
Authors of publication |
Ly, Hanh V.; Forster, Taryn D.; Parvez, Masood; McDonald, Robert; Roesler, Roland |
Journal of publication |
Organometallics |
Year of publication |
2007 |
Journal volume |
26 |
Journal issue |
14 |
Pages of publication |
3516 |
a |
10.94 ± 0.003 Å |
b |
12.001 ± 0.004 Å |
c |
16.987 ± 0.005 Å |
α |
76.011 ± 0.016° |
β |
80.947 ± 0.016° |
γ |
66.866 ± 0.016° |
Cell volume |
1985.2 ± 1.1 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 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 |
0.0812 |
Residual factor for significantly intense reflections |
0.0605 |
Weighted residual factors for significantly intense reflections |
0.1771 |
Weighted residual factors for all reflections included in the refinement |
0.1894 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.118 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/4073303.html