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Information card for entry 7215661
Preview
Coordinates | 7215661.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C222 H166 Cu24 N10 O120 |
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Calculated formula | C222 H166 Cu24 N10 O120 |
Title of publication | Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption |
Authors of publication | Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 23 |
Pages of publication | 5121 |
a | 21.4985 ± 0.0013 Å |
b | 24.7145 ± 0.0014 Å |
c | 24.8218 ± 0.0014 Å |
α | 110.166 ± 0.004° |
β | 112.898 ± 0.003° |
γ | 102.544 ± 0.002° |
Cell volume | 10420.7 ± 1.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0969 |
Residual factor for significantly intense reflections | 0.0712 |
Weighted residual factors for significantly intense reflections | 0.222 |
Weighted residual factors for all reflections included in the refinement | 0.2456 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180487 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/56. |
7215661.cif |
116191 | 2014-06-07 | cif/ Updating files of 7215659, 7215660, 7215661 Original log message: Adding full bibliography for 7215659--7215661.cif. |
7215661.cif |
112655 | 2014-05-03 | cif/ Adding structures of 7215659, 7215660, 7215661 via cif-deposit CGI script. |
7215661.cif |
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Users of the data should acknowledge the original authors of the
structural data.