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Information card for entry 2236917
Preview
Coordinates | 2236917.cif |
---|---|
Structure factors | 2236917.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ-bromido-bis[bromido(4,7-diphenyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium] |
---|---|
Formula | C48 H32 Br4 Cd2 N4 |
Calculated formula | C48 H32 Br4 Cd2 N4 |
SMILES | c1[n]2c3c(c(c4ccccc4)c1)ccc1c3[n]([Cd]32(Br)[Br][Cd]2([n]4ccc(c5ccccc5)c5ccc6c(c7ccccc7)cc[n]2c6c45)(Br)[Br]3)ccc1c1ccccc1 |
Title of publication | Di-μ-bromido-bis[bromido(4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium] |
Authors of publication | Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Aghajeri, Manouchehr; Borsalani, Ali |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 12 |
Pages of publication | m1471 |
a | 10.1704 ± 0.0004 Å |
b | 12.4702 ± 0.0005 Å |
c | 17.3444 ± 0.0007 Å |
α | 90° |
β | 103.187 ± 0.003° |
γ | 90° |
Cell volume | 2141.73 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0756 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.1293 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/2236917.html
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Users of the data should acknowledge the original authors of the
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