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Information card for entry 8101903
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| Coordinates | 8101903.cif |
|---|
| Chemical name | tetrakis(3,5-dimethoxyphenyl)porphyrin-copper(II) methylene chloride disolvate |
|---|---|
| Formula | C53.94 H47.87 Cl3.87 Cu N4 O8 |
| Calculated formula | C53.936 H47.872 Cl3.872 Cu N4 O8 |
| Title of publication | Crystal structures of the methylene chloride disolvates of tetrakis (3,5-dimethoxyphenyl)porphyrin and its isotypic copper(II) and nickel(II) complexes, C~52~H~46~N~4~O~8~ · ~2~CH~2~Cl~2~, Cu(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~, Ni(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~ |
| Authors of publication | Zeller, M.; DiMuzio, S. J.; Bee, K.; Clemente, J.; Frederick, J.; Fucci, A.; Gordon, L.; Harper, A.; Kasmar, A.; Kasmar, C.; Polomsky, S.; Simmons, A.; Smallsreed, D.; Underwood, T.; Hunter, A. D. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 1 |
| Pages of publication | 15 - 19 |
| a | 11.2204 ± 0.0005 Å |
| b | 11.3499 ± 0.0006 Å |
| c | 11.761 ± 0.0006 Å |
| α | 109.187 ± 0.001° |
| β | 100.83 ± 0.001° |
| γ | 110.681 ± 0.001° |
| Cell volume | 1242.64 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0329 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
8101903.cif |
| 107946 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101903.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101903.cif |
| 12642 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101903 via cif-deposit CGI script. |
8101903.cif |
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