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Information card for entry 7050386
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Coordinates | 7050386.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [8-(3'-Ac-(D,L)-alanyloxy)-2'-hydroxyphenyl)-(5,6)-benzo -4,7-diazaocta-2,7-dien-1-onato(2-)]nickel(II) |
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Formula | C28 H25 N3 Ni O5 |
Calculated formula | C28 H25 N3 Ni O5 |
SMILES | [Ni]123OC(=CC(=[N]3c3c([N]2=Cc2c(O1)c(OC(=O)C(NC(=O)C)C)ccc2)cccc3)C)c1ccccc1 |
Title of publication | New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures |
Authors of publication | Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes |
Journal of publication | New J. Chem. |
Year of publication | 2004 |
Journal volume | 28 |
Journal issue | 12 |
Pages of publication | 1615 - 1621 |
a | 23.2759 ± 0.0003 Å |
b | 8.4381 ± 0.0001 Å |
c | 25.9355 ± 0.0003 Å |
α | 90° |
β | 96.476 ± 0.001° |
γ | 90° |
Cell volume | 5061.34 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0368 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0992 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7050386.html
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Users of the data should acknowledge the original authors of the
structural data.