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Information card for entry 8102476
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| Coordinates | 8102476.cif |
|---|---|
| External links | PubChem |
| Formula | C31 H27 Cl N8 O6 Zn |
|---|---|
| Calculated formula | C31 H27 Cl N8 O6 Zn |
| Title of publication | Crystal structure of [tris(2-benzimidazolymethyl)amine-N,N',N'',N''']-(2-aminobenzoato-O)zinc(II) perchlorate, [Zn(C24H21N7)(C7H6NO2)]ClO4 |
| Authors of publication | Feng-Mei Nie; Min Li; Wei Liu; Guo-Xing Li; Tao Fang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 3 |
| Pages of publication | 446 |
| a | 10.0687 ± 0.0004 Å |
| b | 12.2891 ± 0.0005 Å |
| c | 14.0851 ± 0.0006 Å |
| α | 99.625 ± 0.002° |
| β | 99.515 ± 0.002° |
| γ | 110.751 ± 0.002° |
| Cell volume | 1558.44 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0545 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102476.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102476.cif |
| 176728 | 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. |
8102476.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102476.cif |
| 13215 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102476 via cif-deposit CGI script. |
8102476.cif |
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Users of the data should acknowledge the original authors of the
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