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Information card for entry 2237082
Preview
Coordinates | 2237082.cif |
---|---|
Structure factors | 2237082.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-4-methylbenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>; κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aqua(4-methylbenzoato- κ^2^<i>O</i>,<i>O</i>')(nicotinamide-κ<i>N</i>^1^)cadmium] |
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Formula | C44 H44 Cd2 N4 O12 |
Calculated formula | C44 H44 Cd2 N4 O12 |
Title of publication | Bis(μ-4-methylbenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aqua(4-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')(nicotinamide-κ<i>N</i>^1^)cadmium] |
Authors of publication | Dincel, Öznur; Tercan, Barış; Çimen, Efdal; Necefoğlu, Hacali; Hökelek, Tuncer |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 12 |
Pages of publication | m1510 - m1511 |
a | 9.5935 ± 0.0002 Å |
b | 10.3084 ± 0.0002 Å |
c | 12.6606 ± 0.0003 Å |
α | 68.326 ± 0.003° |
β | 74.999 ± 0.003° |
γ | 66.916 ± 0.002° |
Cell volume | 1060.81 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0199 |
Residual factor for significantly intense reflections | 0.0194 |
Weighted residual factors for significantly intense reflections | 0.0475 |
Weighted residual factors for all reflections included in the refinement | 0.0478 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2237082.html
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Users of the data should acknowledge the original authors of the
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