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Information card for entry 1517192
Preview
Coordinates | 1517192.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C158 H190 N48 Ni16 O60 S7 |
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Calculated formula | C158 H134 N48 Ni16 O60 S7 |
Title of publication | SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds |
Authors of publication | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun |
Journal of publication | Chem. Sci. |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 11 |
Pages of publication | 4163 |
a | 31.2 ± 0.0003 Å |
b | 31.2 ± 0.0003 Å |
c | 25.3435 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 24670.4 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.1485 |
Residual factor for significantly intense reflections | 0.1149 |
Weighted residual factors for significantly intense reflections | 0.3125 |
Weighted residual factors for all reflections included in the refinement | 0.3425 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517192.cif |
124662 | 2014-10-06 | cif/ Updating files of 1517188, 1517189, 1517190, 1517191, 1517192 Original log message: Adding full bibliography for 1517188--1517192.cif. |
1517192.cif |
120584 | 2014-07-19 | cif/ Adding structures of 1517188, 1517189, 1517190, 1517191, 1517192 via cif-deposit CGI script. |
1517192.cif |
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Users of the data should acknowledge the original authors of the
structural data.