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Information card for entry 2228957
Preview
| Coordinates | 2228957.cif |
|---|---|
| Structure factors | 2228957.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[{bis[tetraaqua(2-hydroxy-3,4-dioxocyclobut-1-en- 1-olato-κ<i>O</i>^1^)bariumstrontium(0.35/0.65)]di-μ-aqua}bis(μ-2- hydroxy-4-oxocyclobut-1-ene-1,3-diolato-κ^2^<i>O</i>^1^:<i>O</i>^3^)] monohydrate] |
|---|---|
| Formula | C16 H26 Ba0.71 O27 Sr1.29 |
| Calculated formula | C16 H26 Ba0.706 O27 Sr1.294 |
| Title of publication | <i>catena</i>-Poly[[{bis[tetraaqua(2-hydroxy-3,4-dioxocyclobut-1-en-1-olato-κ<i>O</i>^1^)bariumstrontium(0.35/0.65)]di-μ-aqua}bis(μ-2-hydroxy-4-oxocyclobut-1-ene-1,3-diolato-κ^2^<i>O</i>^1^:<i>O</i>^3^)] monohydrate] |
| Authors of publication | Trifa, Chahrazed; Bouhali, Amira; Bouacida, Sofiane; Boudaren, Chaouki; Bataille, Thierry |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m275 - m276 |
| a | 25.3592 ± 0.0009 Å |
| b | 8.8993 ± 0.0003 Å |
| c | 14.1286 ± 0.0005 Å |
| α | 90° |
| β | 119.974 ± 0.002° |
| γ | 90° |
| Cell volume | 2762.07 ± 0.18 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181210 (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 2/22/89. |
2228957.cif 2228957.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. |
2228957.cif 2228957.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228957.cif 2228957.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. | 2228957.cif 2228957.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228957.cif 2228957.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2228957.cif 2228957.hkl |
| 11975 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2228957 via cif-deposit CGI script. |
2228957.cif |
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