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Information card for entry 8102227
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| Coordinates | 8102227.cif |
|---|
| Chemical name | [1,4,8,11,15,18,22,25-octahydro-1,4:8,11:15,18:22,25-tetraethano-29H,31H- tetrabenzo[b,g,l,q]porphinato(2-)-κN29,κN30,κN31,κN32]-copper(II) N-methylpyrrolidone trisolvate |
|---|---|
| Formula | C59 H63 Cu N7 O3 |
| Calculated formula | C59 H63 Cu N7 O3 |
| Title of publication | Crystal structure of [1,4,8,11,15,18,22,25-octahydro-1,4:8,11:15,18:22,25-tetraethano-29H,31H-tetrabenzo[b,g,l,q]porphinato-κN29,κN30,κN31,κN32]-copper(II) N-methylpyrrolidone trisolvate, Cu(C44H36N4) · 3C5H9NO |
| Authors of publication | Shinji Aramaki; Yoshimasa Sakai; Hiroyuki Yanagisawa; Jin Mizuguchi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 1 |
| Pages of publication | 69 |
| a | 32.215 ± 0.003 Å |
| b | 7.0289 ± 0.0008 Å |
| c | 25.735 ± 0.003 Å |
| α | 90° |
| β | 125.23 ± 0.006° |
| γ | 90° |
| Cell volume | 4760 ± 1 Å3 |
| Cell temperature | 93.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for all reflections included in the refinement | 0.2196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| 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. |
8102227.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102227.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102227.cif |
| 12966 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102227 via cif-deposit CGI script. |
8102227.cif |
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