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Information card for entry 4064865
Preview
Coordinates | 4064865.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H42 Br N Ni |
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Calculated formula | C30 H42 Br N Ni |
SMILES | CN(C)C([c]12[c]3([c]4([c]5([c]1(C(C)C)[Ni]2345Br)C(C)C)C(C)C)C(C)C)c1cccc2c1cccc2 |
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 | 17.571 ± 0.0006 Å |
b | 17.2638 ± 0.0008 Å |
c | 37.912 ± 0.0025 Å |
α | 90° |
β | 100.44 ± 0.005° |
γ | 90° |
Cell volume | 11309.9 ± 1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0812 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1278 |
Weighted residual factors for all reflections included in the refinement | 0.1387 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4064865.html
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