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Information card for entry 8102517
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| Coordinates | 8102517.cif |
|---|
| Chemical name | [Diaqua[bis[dipyrido[3,2-a:2',3'-c]phenazine] cobalt(II)-biphenylethene-4,4'-dicarboxylato)]] [biphenylethene-4,4'-dicarboxylato] three-water solvent |
|---|---|
| Formula | C68 H60 Co2 N8 O18 |
| Calculated formula | C68 H52 Co2 N8 O18 |
| Title of publication | Crystal structure of tetraaqua-bis(dipyrido[3,2-a:2',3'-c]phenazine)-(biphenylethene-4,4'-dicarboxylato)dicobalt(II) biphenylethene-4,4'-dicarboxylate — water (1:6), [Co2(H2O)4(C18H10N4)2(C16H10O4)][C16H10O4] · 6H2O |
| Authors of publication | Dao-Cheng Xia; Wan-Cheng Li; Ji-Huan Yao; Shuai Shi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 4 |
| Pages of publication | 528 |
| a | 7.299 ± 0.005 Å |
| b | 13.865 ± 0.005 Å |
| c | 15.84 ± 0.005 Å |
| α | 83.889 ± 0.005° |
| β | 83.626 ± 0.005° |
| γ | 78.785 ± 0.005° |
| Cell volume | 1556.8 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.098 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102517.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102517.cif |
| 13256 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102517 via cif-deposit CGI script. |
8102517.cif |
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Users of the data should acknowledge the original authors of the
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