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Information card for entry 7031835
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| Coordinates | 7031835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Ni2LMe(mu-L-tyrosinato)]ClO4x2.25MeCN |
|---|---|
| Formula | C51.5 H80.75 Cl N9.25 Ni2 O7 S2 |
| Calculated formula | C51.5 H80.75 Cl N9.25 Ni2 O7 S2 |
| Title of publication | Selective complexation of α-amino acids and simple peptides via their carboxylate groups. |
| Authors of publication | Schnitter, Roland; Gallego, Daniel; Kersting, Berthold |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 36 |
| Pages of publication | 13637 - 13648 |
| a | 14.0485 ± 0.0004 Å |
| b | 15.2778 ± 0.0004 Å |
| c | 16.2737 ± 0.0003 Å |
| α | 113.857 ± 0.002° |
| β | 97.723 ± 0.002° |
| γ | 111.779 ± 0.002° |
| Cell volume | 2795.05 ± 0.15 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7031835.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7031835.cif |
| 123461 | 2014-09-08 | cif/ Updating files of 7031834, 7031835, 7031836 Original log message: Adding full bibliography for 7031834--7031836.cif. |
7031835.cif |
| 120983 | 2014-07-31 | cif/ Adding structures of 7031834, 7031835, 7031836 via cif-deposit CGI script. |
7031835.cif |
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