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Information card for entry 1560846
Preview
Coordinates | 1560846.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H78 Br6 Ge2 N2 Ni2 P2 Si2 |
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Calculated formula | C74 H78 Br6 Ge2 N2 Ni2 P2 Si2 |
SMILES | c1(c(cccc1C(C)C)C(C)C)N1[Ge](Br)(Br)[Ni]2([P](C[Si]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Br][Ni]1([P](C[Si](N(c3c(cccc3C(C)C)C(C)C)[Ge]1(Br)Br)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Br]2 |
Title of publication | Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex |
Authors of publication | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. |
Journal of publication | Chemical Science |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 15 |
Pages of publication | 5582 - 5590 |
a | 40.613 ± 0.008 Å |
b | 9.87 ± 0.002 Å |
c | 23.16 ± 0.005 Å |
α | 90° |
β | 101.59 ± 0.03° |
γ | 90° |
Cell volume | 9094 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0785 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.127 |
Weighted residual factors for all reflections included in the refinement | 0.1402 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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