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Information card for entry 2221397
Preview
Coordinates | 2221397.cif |
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Structure factors | 2221397.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>SP</i>-4-4)-[Hydrogen <i>N</i>-({2-[(2<i>S</i>)-(1-benzylpyrrolidine-2- carboxamido]phenyl}(phenyl)methylene)-L-glutamato(2-)]nickel(II) |
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Formula | C30 H29 N3 Ni O5 |
Calculated formula | C30 H29 N3 Ni O5 |
SMILES | [Ni]123[N](=C(c4c(N3C(=O)[C@H]3[N]2(Cc2ccccc2)CCC3)cccc4)c2ccccc2)[C@@H](CCC(=O)O)C(=O)O1 |
Title of publication | (<i>SP</i>-4-4)-[Hydrogen <i>N</i>-({2-[(2<i>S</i>)-1-benzylpyrrolidine-2-carboxamido]phenyl}(phenyl)methylene)-<small>L</small>-glutamato(2{-})]nickel(II) |
Authors of publication | Zhou, Jia-Dong; Cao, Fei; Ying, Han-Jie; Wei, Ping |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 4 |
Pages of publication | m453 - m454 |
a | 9.457 ± 0.0019 Å |
b | 14.293 ± 0.003 Å |
c | 20.251 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2737.3 ± 1 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0618 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1275 |
Weighted residual factors for all reflections included in the refinement | 0.143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 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/2221397.html
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