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Information card for entry 2014089
Preview
Coordinates | 2014089.cif |
---|---|
Structure factors | 2014089.hkl |
Original IUCr paper | HTML |
Chemical name | trans-bis(1-methylimidazole)[(R)-N,N'-bis(alpha-phenylsalicylidene)-1,2- propanediaminato]cobalt(III) perchlorate |
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Formula | C37 H36 Cl Co N6 O6 |
Calculated formula | C37 H36 Cl Co N6 O6 |
SMILES | [Co]123(Oc4ccccc4[C@H](N2[C@@H](CN3[C@@H](c2c(O1)cccc2)c1ccccc1)C)c1ccccc1)([n]1c[n](cc1)C)[n]1c[n](cc1)C.Cl(=O)(=O)(=O)[O-] |
Title of publication | An unexpected chelate conformation in <i>trans</i>-[(<i>R</i>)-<i>N</i>,<i>N</i>'-bis(α-phenylsalicylidene)propane-1,2-diaminato(2‒)]bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) perchlorate |
Authors of publication | Hirotsu, Masakazu; Kojima, Masaaki; Nakajima, Kiyohiko; Kashino, Setsuo; Yoshikawa, Yuzo |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 9 |
Pages of publication | m431 - m432 |
a | 14.334 ± 0.002 Å |
b | 17.766 ± 0.003 Å |
c | 13.849 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3526.8 ± 0.9 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0712 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for all reflections included in the refinement | 0.1152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014089.html
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