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Information card for entry 2228114
Preview
Coordinates | 2228114.cif |
---|---|
Structure factors | 2228114.hkl |
Original IUCr paper | HTML |
Chemical name | Tri-μ-sulfato-κ^6^<i>O</i>:<i>O</i>'-bis[aqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')indium(III)] dihydrate |
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Formula | C24 H24 In2 N4 O16 S3 |
Calculated formula | C24 H24 In2 N4 O16 S3 |
SMILES | [In]123(OS(=O)(=O)O[In]4(OS(=O)(=O)O1)(OS(=O)(=O)O2)([OH2])[n]1cccc2c1c1[n]4cccc1cc2)([OH2])[n]1cccc2c1c1[n]3cccc1cc2.O.O |
Title of publication | Tri-μ-sulfato-κ^6^<i>O</i>:<i>O</i>'-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')indium(III)] dihydrate |
Authors of publication | Shen, Fwu Ming; Lush, Shie Fu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 10 |
Pages of publication | m1260 - m1261 |
a | 10.5909 ± 0.0002 Å |
b | 12.0354 ± 0.0002 Å |
c | 13.3593 ± 0.0003 Å |
α | 79.904 ± 0.001° |
β | 79.606 ± 0.001° |
γ | 64.727 ± 0.001° |
Cell volume | 1505.32 ± 0.05 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.097 |
Residual factor for significantly intense reflections | 0.0823 |
Weighted residual factors for significantly intense reflections | 0.2169 |
Weighted residual factors for all reflections included in the refinement | 0.2243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181202 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/81. |
2228114.cif 2228114.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228114.cif 2228114.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228114.cif 2228114.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. | 2228114.cif 2228114.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228114.cif 2228114.hkl |
5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228114.cif 2228114.hkl |
5151 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228114 via cif-deposit CGI script. |
2228114.cif |
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Users of the data should acknowledge the original authors of the
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