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Information card for entry 4063465
Preview
Coordinates | 4063465.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H33 I P2 Ru |
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Calculated formula | C33 H33 I P2 Ru |
SMILES | I[Ru]12345([P]([C@H](CC[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51 |
Title of publication | Pyramidal Stability of 16-Electron Half-Sandwich Intermediates [CpRu(P−P)]+with P−P Ligands Forming Four- to Six-Membered Chelate Rings |
Authors of publication | Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 2 |
Pages of publication | 428 |
a | 19.9397 ± 0.0014 Å |
b | 15.6337 ± 0.0011 Å |
c | 9.4492 ± 0.0006 Å |
α | 90° |
β | 100.283 ± 0.008° |
γ | 90° |
Cell volume | 2898.3 ± 0.3 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0389 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0607 |
Weighted residual factors for all reflections included in the refinement | 0.062 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.904 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4063465.html
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