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Information card for entry 4314917
Preview
| Coordinates | 4314917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C112 H80 B2 Cl2 Fe2 N34 Ni2 O14 S16 |
|---|---|
| Calculated formula | C112 H80 B2 Cl2 Fe2 N34 Ni2 O14 S16 |
| Title of publication | Syntheses, Structures, and Magnetic Properties of Heterobimetallic Clusters with Tricyanometalate and π-Conjugated Ligands Containing 1,3-Dithiol-2-ylidene |
| Authors of publication | Yan-Hong Peng; Yi-Fei Meng; Liang Hu; Quan-Xiu Li; Yi-Zhi Li; Jing-Lin Zuo; Xiao-Zeng You |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1905 - 1912 |
| a | 14.668 ± 0.002 Å |
| b | 14.929 ± 0.002 Å |
| c | 18.808 ± 0.003 Å |
| α | 99.914 ± 0.002° |
| β | 91.47 ± 0.003° |
| γ | 101.981 ± 0.002° |
| Cell volume | 3960.6 ± 1 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0913 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4314917.cif |
| 179229 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/49. |
4314917.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314917.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314917.cif |
| 8060 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314917 via cif-deposit CGI script. |
4314917.cif |
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Users of the data should acknowledge the original authors of the
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