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Information card for entry 8101904
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| Coordinates | 8101904.cif |
|---|
| Chemical name | tetrakis(3,5-dimethoxyphenyl)porphyrin-nickel(II) methylene chloride disolvate |
|---|---|
| Formula | C53.96 H47.92 Cl3.92 N4 Ni O8 |
| Calculated formula | C53.958 H47.916 Cl3.916 N4 Ni 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 | 11.1964 ± 0.0013 Å |
| b | 11.3288 ± 0.0014 Å |
| c | 11.7848 ± 0.0014 Å |
| α | 109.486 ± 0.002° |
| β | 101.23 ± 0.002° |
| γ | 110.607 ± 0.002° |
| Cell volume | 1233.7 ± 0.3 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
8101904.cif |
| 107946 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101904.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101904.cif |
| 12643 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101904 via cif-deposit CGI script. |
8101904.cif |
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