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Information card for entry 2232521
Preview
Coordinates | 2232521.cif |
---|---|
Structure factors | 2232521.hkl |
Original IUCr paper | HTML |
Chemical name | <i>trans</i>-Diaquabis(4-fluorobenzoato-κ<i>O</i>)bis(nicotinamide- κ<i>N</i>^1^)nickel(II) |
---|---|
Formula | C26 H24 F2 N4 Ni O8 |
Calculated formula | C26 H24 F2 N4 Ni O8 |
SMILES | C(=O)(c1ccc(cc1)F)O[Ni]([n]1cccc(c1)C(=O)N)([OH2])([n]1cccc(c1)C(=O)N)(OC(=O)c1ccc(cc1)F)[OH2] |
Title of publication | <i>trans</i>-Diaquabis(4-fluorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)nickel(II) |
Authors of publication | Necefoğlu, Hacali; Öztürk, Vijdan; Özbek, Füreya Elif; Adıgüzel, Vedat; Hökelek, Tuncer |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m1638 - m1639 |
a | 12.2001 ± 0.0005 Å |
b | 8.8473 ± 0.0004 Å |
c | 17.1341 ± 0.0005 Å |
α | 90° |
β | 136.08 ± 0.002° |
γ | 90° |
Cell volume | 1282.86 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0349 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/2232521.html
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Users of the data should acknowledge the original authors of the
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