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Information card for entry 2230152
Preview
Coordinates | 2230152.cif |
---|---|
Structure factors | 2230152.hkl |
Original IUCr paper | HTML |
Chemical name | Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4- ethylbenzoato-κ<i>O</i>)cobalt(II) |
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Formula | C38 H50 Co N4 O8 |
Calculated formula | C38 H50 Co N4 O8 |
SMILES | [Co](OC(=O)c1ccc(cc1)CC)(OC(=O)c1ccc(cc1)CC)([OH2])([OH2])([n]1cccc(c1)C(=O)N(CC)CC)[n]1cccc(c1)C(=O)N(CC)CC |
Title of publication | Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4-ethylbenzoato-κ<i>O</i>)cobalt(II) |
Authors of publication | Necefoğlu, Hacali; Maracı, Ali; Özbek, Füreya Elif; Tercan, Barış; Hökelek, Tuncer |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | m619 - m620 |
a | 8.4292 ± 0.0002 Å |
b | 11.9399 ± 0.0003 Å |
c | 18.1716 ± 0.0004 Å |
α | 90° |
β | 98.685 ± 0.003° |
γ | 90° |
Cell volume | 1807.89 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0622 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.0888 |
Weighted residual factors for all reflections included in the refinement | 0.0946 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2230152.html
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Users of the data should acknowledge the original authors of the
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