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Information card for entry 2228587
Preview
| Coordinates | 2228587.cif |
|---|---|
| Structure factors | 2228587.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Bis[(1-ammoniopentane-1,1-diyl)diphosphonato- κ^2^<i>O</i>,<i>O</i>']diaquacopper(II) |
|---|---|
| Formula | C10 H32 Cu N2 O14 P4 |
| Calculated formula | C10 H32 Cu N2 O14 P4 |
| SMILES | O1[Cu]2(OP(=O)(C(CCCC)([NH3+])P(=O)(O2)O)O)OP(=O)(C(CCCC)([NH3+])P1(=O)O)O.O.O |
| Title of publication | <i>trans</i>-Bis[(1-ammoniopentane-1,1-diyl)diphosphonato-κ^2^<i>O</i>,<i>O</i>']diaquacopper(II) |
| Authors of publication | Tsaryk, Natalia V.; Dudko, Anatolij V.; Kozachkova, Alexandra N.; Bon, Vladimir V.; Pekhnyo, Vasily I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1533 - m1534 |
| a | 5.5629 ± 0.0001 Å |
| b | 10.0236 ± 0.0002 Å |
| c | 10.5237 ± 0.0002 Å |
| α | 69.315 ± 0.001° |
| β | 86.666 ± 0.001° |
| γ | 88.398 ± 0.001° |
| Cell volume | 548.031 ± 0.018 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0258 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0631 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181206 (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 2/22/85. |
2228587.cif 2228587.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. |
2228587.cif 2228587.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228587.cif 2228587.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. | 2228587.cif 2228587.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228587.cif 2228587.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228587.cif 2228587.hkl |
| 5802 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228582, 2228583, 2228584, 2228585, 2228586, 2228587, 2228588, 2228589, 2228590, 2228591 via cif-deposit CGI script. |
2228587.cif |
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Users of the data should acknowledge the original authors of the
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