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Information card for entry 4343321
Preview
| Coordinates | 4343321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ni(III)(TBDAP)(O2)](ClO4) |
|---|---|
| Formula | C22.5 H33 Cl2 N4 Ni O6 |
| Calculated formula | C22.5 H33 Cl2 N4 Ni O6 |
| Title of publication | Steric Effect on the Nucleophilic Reactivity of Nickel(III) Peroxo Complexes. |
| Authors of publication | Kim, Jalee; Shin, Bongki; Kim, Hyunjeong; Lee, Junhyung; Kang, Joongoo; Yanagisawa, Sachiko; Ogura, Takashi; Masuda, Hideki; Ozawa, Tomohiro; Cho, Jaeheung |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 13 |
| Pages of publication | 6176 - 6183 |
| a | 30.9602 ± 0.0006 Å |
| b | 12.8498 ± 0.0002 Å |
| c | 13.7307 ± 0.0002 Å |
| α | 90° |
| β | 105.759 ± 0.001° |
| γ | 90° |
| Cell volume | 5257.2 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4343321.cif |
| 171494 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing publication details from _chemical_name_systematic and _chemical_name_common tag values in multiple entries. |
4343321.cif |
| 141344 | 2015-07-08 | cif/ Updating files of 4343319, 4343320, 4343321 Original log message: Adding full bibliography for 4343319--4343321.cif. |
4343321.cif |
| 139139 | 2015-06-13 | cif/ Adding structures of 4343321 via cif-deposit CGI script. |
4343321.cif |
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Users of the data should acknowledge the original authors of the
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