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Information card for entry 4064868
Preview
Coordinates | 4064868.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H38 Br Ni O3 P |
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Calculated formula | C20 H38 Br Ni O3 P |
SMILES | [Ni]1234(Br)([P](OC)(OC)OC)[c]5([c]1([c]2([c]3([cH]45)C(C)C)C(C)C)C(C)C)C(C)C |
Title of publication | Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide |
Authors of publication | Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 23 |
Pages of publication | 6351 |
a | 17.719 ± 0.004 Å |
b | 8.27 ± 0.008 Å |
c | 33.57 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4919 ± 5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.2322 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.0543 |
Weighted residual factors for all reflections included in the refinement | 0.0815 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.718 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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