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Information card for entry 7200599
Preview
Coordinates | 7200599.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H32 Cu N18 O2 S2 |
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Calculated formula | C42 H32 Cu N18 O2 S2 |
SMILES | N(=C=S)[Cu]12([n]3cn(Cc4cccc(c5nnc(o5)c5cccc(Cn6nc[n]1c6)c5)c4)nc3)([n]1cn(Cc3cccc(c4nnc(o4)c4cccc(Cn5nc[n]2c5)c4)c3)nc1)N=C=S |
Title of publication | Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand |
Authors of publication | Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 7 |
Pages of publication | 1281 |
a | 8.414 ± 0.003 Å |
b | 11.946 ± 0.004 Å |
c | 11.997 ± 0.004 Å |
α | 111.512 ± 0.005° |
β | 103.439 ± 0.005° |
γ | 94.999 ± 0.005° |
Cell volume | 1071.2 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1487 |
Residual factor for significantly intense reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.1746 |
Weighted residual factors for all reflections included in the refinement | 0.2094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7200599.html
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