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Information card for entry 2017744
Preview
Coordinates | 2017744.cif |
---|---|
Structure factors | 2017744.hkl |
Original IUCr paper | HTML |
Chemical name | poly[[(μ~3~-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate] |
---|---|
Formula | C12 H18 O8 U |
Calculated formula | C12 H18 O8 U |
SMILES | [U]12([OH2])(=O)(=O)[O]=C(O1)C13CC4(CC(C1)CC(C3)C4)C(O[U]13([OH2])(=O)(=O)[O]=C(O1)C14CC5(CC(C1)CC(C4)C5)C(O2)=O)=[O][U]12([OH2])(=O)(=O)[O]=C(O1)C14CC5(CC(C1)CC(C4)C5)C(=O)O[U]1([OH2])(=O)(=O)[O]=C(O1)C45CC6(CC(C4)CC(C5)C6)C(O2)=[O]3.O.O.O.O |
Title of publication | A new adamantanecarboxylate coordination polymer: poly[[(μ~3~-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate] |
Authors of publication | Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 8 |
Pages of publication | m207 - m210 |
a | 24.254 ± 0.002 Å |
b | 6.7855 ± 0.0006 Å |
c | 20.2586 ± 0.0016 Å |
α | 90° |
β | 116.549 ± 0.004° |
γ | 90° |
Cell volume | 2982.5 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0678 |
Weighted residual factors for all reflections included in the refinement | 0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
180846 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/77. |
2017744.cif 2017744.hkl |
176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017744.cif 2017744.hkl |
125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017744.cif 2017744.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2017744.cif 2017744.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017744.cif 2017744.hkl |
1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2017744.cif 2017744.hkl |
1551 | 2010-10-08 | cif/2/ Adding data CIFs from Acta-Cryst-C-2010_08/. |
2017744.cif |
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Users of the data should acknowledge the original authors of the
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