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Information card for entry 4065839
Preview
Coordinates | 4065839.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H93 Ga Mg N6 |
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Calculated formula | C61 H93 Ga Mg N6 |
SMILES | [Ga]1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Mg]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[N](CCN(C)C)(C)C |
Title of publication | Group 2 and 12 Metal Gallyl Complexes Containing Unsupported Ga−M Covalent Bonds (M = Mg, Ca, Sr, Ba, Zn, Cd)† |
Authors of publication | Bonello, Owen; Jones, Cameron; Stasch, Andreas; Woodul, William D. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 4914 |
a | 22.756 ± 0.005 Å |
b | 14.259 ± 0.003 Å |
c | 21.172 ± 0.004 Å |
α | 90° |
β | 120.91 ± 0.03° |
γ | 90° |
Cell volume | 5894 ± 3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0316 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.073 |
Weighted residual factors for all reflections included in the refinement | 0.0745 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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