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Information card for entry 8102539
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| Coordinates | 8102539.cif |
|---|
| Chemical name | [3,7,11,19,23,27-hexaaza-33,34-dihydroxy-15,31-dimethyl-tricyclo- tetratriaconta-1(32),13,15,17(34),29(33),30-hexaene]dizinc(II) dichloride methanol solvate |
|---|---|
| Formula | C31 H52 Cl2 N6 O3 Zn2 |
| Calculated formula | C31 H52 Cl2 N6 O3 Zn2 |
| Title of publication | Crystal structure of [3,7,11,19,23,27-hexaaza-33,34-dihydroxy-15,31-dimethyl-tricyclo-tetratriaconta- 1(32),13,15,17(34),29(33),30-hexaene]dizinc(II) dichloride — methanol (1:1), [Zn2(C30H48N6O2)]Cl2 · CH3OH |
| Authors of publication | Hai-Yan Liu; Dao-Cheng Xia; Jian-Fang Ma |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 4 |
| Pages of publication | 629 |
| a | 8.5766 ± 0.001 Å |
| b | 10.5889 ± 0.0009 Å |
| c | 11.7905 ± 0.0014 Å |
| α | 63.609 ± 0.01° |
| β | 75.129 ± 0.01° |
| γ | 84.045 ± 0.008° |
| Cell volume | 927 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0749 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1425 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102539.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102539.cif |
| 13278 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102539 via cif-deposit CGI script. |
8102539.cif |
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