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Information card for entry 7223979
Preview
Coordinates | 7223979.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H44 Br2 N4 O2 Sn |
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Calculated formula | C60 H44 Br2 N4 O2 Sn |
SMILES | c1(ccc(C)cc1)C1=c2n3c(=C(c4ccc(cc4)C)c4[n]5c(=C(c6ccc(cc6)C)c6n7[Sn]35(Oc3c(cccc3)Br)([n]3c1ccc3=C(c1ccc(cc1)C)c7cc6)Oc1c(cccc1)Br)cc4)cc2 |
Title of publication | Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals |
Authors of publication | Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 9 |
Pages of publication | 1515 |
a | 36.626 ± 0.002 Å |
b | 36.626 ± 0.002 Å |
c | 10.4295 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 12116.4 ± 1.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0753 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1348 |
Weighted residual factors for all reflections included in the refinement | 0.1663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
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/7223979.html
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