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Information card for entry 7029578
Preview
Coordinates | 7029578.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H31 K O |
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Calculated formula | C17 H31 K O |
SMILES | [K][O]1CCCC1.C=C([CH-]C(=C)C(C)(C)C)C(C)(C)C |
Title of publication | Pentadienyl chemistry of the heavy alkaline-earth metals revisited. |
Authors of publication | Reiners, Matthias; Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 18 |
Pages of publication | 6614 - 6617 |
a | 10.119 ± 0.0002 Å |
b | 10.7148 ± 0.0006 Å |
c | 16.4367 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1782.12 ± 0.14 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0572 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1245 |
Weighted residual factors for all reflections included in the refinement | 0.1304 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/7029578.html
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