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Information card for entry 1501756
Preview
Coordinates | 1501756.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Cl4 Cs2 O2 U |
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Calculated formula | Cl4 Cs2 O2 U |
SMILES | [U](=O)(=O)([Cl])([Cl])([Cl])[Cl].[Cs+].[Cs+] |
Title of publication | Characterization of bonding in cesium uranyl chloride: topological analysis of the experimental charge density. |
Authors of publication | Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2011 |
Journal volume | 115 |
Journal issue | 45 |
Pages of publication | 13016 - 13023 |
a | 11.7882 ± 0.0003 Å |
b | 7.6411 ± 0.0002 Å |
c | 5.7686 ± 0.0002 Å |
α | 90° |
β | 100.438 ± 0.003° |
γ | 90° |
Cell volume | 511.01 ± 0.03 Å3 |
Cell temperature | 20 ± 0.2 K |
Ambient diffraction temperature | 20 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for significantly intense reflections | 0.0072 |
Weighted residual factors for all reflections included in the refinement | 0.0061 |
RFsqd | 0.0082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
277994 (current) | 2022-09-20 | cif/1: Fixing Z values and formulae --Esta linea y las que estan cidebajo seran ignoradas-- M 1/50/17/1501756.cif M 1/55/00/1550096.cif M 1/55/00/1550097.cif M 1/55/10/1551036.cif M 1/55/10/1551093.cif M 1/55/11/1551166.cif M 1/55/12/1551258.cif M 1/55/14/1551470.cif M 1/55/17/1551763.cif M 1/55/18/1551829.cif M 1/55/18/1551858.cif M 1/55/26/1552627.cif M 1/55/29/1552921.cif M 1/55/29/1552935.cif M 1/55/34/1553467.cif M 1/55/36/1553602.cif M 1/55/40/1554076.cif M 1/55/45/1554520.cif M 1/55/46/1554608.cif M 1/55/46/1554630.cif M 1/55/50/1555098.cif M 1/55/55/1555541.cif M 1/55/56/1555698.cif M 1/55/57/1555759.cif M 1/55/62/1556260.cif M 1/55/70/1557018.cif M 1/55/70/1557019.cif M 1/55/78/1557811.cif M 1/55/84/1558435.cif M 1/55/85/1558584.cif M 1/55/86/1558679.cif M 1/55/90/1559044.cif M 1/55/93/1559358.cif M 1/55/94/1559474.cif M 1/55/94/1559475.cif M 1/55/98/1559884.cif M 1/55/99/1559911.cif M 1/56/01/1560138.cif M 1/56/15/1561557.cif M 1/56/22/1562206.cif M 1/56/22/1562220.cif M 1/56/27/1562701.cif M 1/56/31/1563166.cif M 1/56/33/1563318.cif M 1/56/39/1563980.cif M 1/56/40/1564076.cif M 1/56/42/1564245.cif M 1/56/45/1564581.cif M 1/56/46/1564685.cif M 1/56/47/1564708.cif M 1/56/49/1564974.cif M 1/56/50/1565031.cif M 1/56/51/1565186.cif M 1/56/55/1565579.cif M 1/56/56/1565610.cif M 1/56/60/1566073.cif M 1/56/60/1566076.cif M 1/56/63/1566370.cif |
1501756.cif |
176729 | 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. |
1501756.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501756.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501756.cif |
35105 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501756 via cif-deposit CGI script. |
1501756.cif |
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Users of the data should acknowledge the original authors of the
structural data.