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Information card for entry 8102085
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| Coordinates | 8102085.cif |
|---|
| Chemical name | [Cu~2~(Ibuprofenate)~4~(DMF)~2~] . xDMF |
|---|---|
| Formula | C29 H41 Cu N O5 |
| Calculated formula | C29 H41 Cu N O5 |
| Title of publication | Crystal structures of bis(dimethylformamide)tetrakis(ibuprofenato) dicopper(II) dimethylformamide solvate (1:2), Cu~2~(C~3~H~7~NO)~2~ (C~13~H~17~O~2~)~4~ · 2C~3~H~7~NO, and bis(dimethylsulfoxide) tetrakis(ibuprofenato)dicopper(II) dichloromethane solvate (1:2), Cu~2~(C~2~H~6~SO)~2~(C~13~H~17~O~2~)~4~ · 2CH~2~Cl~2~ |
| Authors of publication | Ahn-Thou, P.-N.; Lemoine, P.; Viossat, B.; Chaumei, J.-C.; Tomas, A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 2 |
| Pages of publication | 93 - 97 |
| a | 10.616 ± 0.005 Å |
| b | 11.123 ± 0.005 Å |
| c | 16.451 ± 0.005 Å |
| α | 108.34 ± 0.005° |
| β | 98.52 ± 0.005° |
| γ | 108.93 ± 0.005° |
| Cell volume | 1675.1 ± 1.2 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 | 0.0905 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.151 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
8102085.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102085.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102085.cif |
| 12824 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102085 via cif-deposit CGI script. |
8102085.cif |
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