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Information card for entry 4343320
Preview
| Coordinates | 4343320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Ni(II)(CHDAP)](NO3)2 |
|---|---|
| Formula | C27 H40 N6 Ni O7 |
| Calculated formula | C27 H40 N6 Ni O7 |
| SMILES | [Ni]1234([n]5c6cccc5C[N]1(C1CCCCC1)Cc1[n]2c(C[N]3(C2CCCCC2)C6)ccc1)ON(=[O]4)=O.N(=O)(=O)[O-].OC |
| 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 | 10.6798 ± 0.0002 Å |
| b | 11.8168 ± 0.0002 Å |
| c | 12.9559 ± 0.0002 Å |
| α | 64.104 ± 0.001° |
| β | 82.133 ± 0.001° |
| γ | 78.981 ± 0.001° |
| Cell volume | 1441.11 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4343320.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. |
4343320.cif |
| 141344 | 2015-07-08 | cif/ Updating files of 4343319, 4343320, 4343321 Original log message: Adding full bibliography for 4343319--4343321.cif. |
4343320.cif |
| 139138 | 2015-06-13 | cif/ Adding structures of 4343320 via cif-deposit CGI script. |
4343320.cif |
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Users of the data should acknowledge the original authors of the
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