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Information card for entry 8101837
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| Coordinates | 8101837.cif |
|---|
| Chemical name | poly[[aqua(1,10-phenanthroline-κ^2^N,N')nickel(II)]- μ-(dihydrogen-benzene-1,2,4,5-tetracarboxylato)-κ^3^O^1^:O^2^:O^3^] |
|---|---|
| Formula | C22 H14 N2 Ni O9 |
| Calculated formula | C22 H14 N2 Ni O9 |
| Title of publication | Crystal structure of poly[{aqua(1,10-phenanthroline-k^2^N,N')nickel (II)}-μ-(dihydrogen-benzene-1,2,4,5-tetracarboxylate)-k^3^O:O':O''], Ni(C10H4O8)(C12H8N2)(H2O) |
| Authors of publication | J.-C. Lee; H. Takahashi; Y. Matsui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 489 - 490 |
| a | 9.589 ± 0.005 Å |
| b | 10.144 ± 0.007 Å |
| c | 11.312 ± 0.005 Å |
| α | 87.11 ± 0.02° |
| β | 72.38 ± 0.02° |
| γ | 64.96 ± 0.02° |
| Cell volume | 946.3 ± 0.9 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for all reflections | 0.0863 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8459 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101837.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101837.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101837.cif |
| 12576 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101837 via cif-deposit CGI script. |
8101837.cif |
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Users of the data should acknowledge the original authors of the
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