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Information card for entry 7704329
Preview
Coordinates | 7704329.cif |
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Original paper (by DOI) | HTML |
Formula | C4 H8 N4 O3 |
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Calculated formula | C4 H8 N4 O3 |
SMILES | O.O=C([O-])Cc1n[nH+]c([nH]1)N |
Title of publication | Spin-frustration with two quasi-degenerated spin states of a copper(II) heptanuclear complex obtained from an amino acid ligand. |
Authors of publication | Matos, Catiúcia R M O; S Junior, Henrique C; D'Amato, Dayenny L; de Souza, Acácio S; Pinheiro, Sérgio; Guedes, Guilherme P.; Ferreira, Glaucio B.; Alves, Odivaldo C.; de Almeida, Filipe B.; Garcia, Flávio; Ronconi, Célia M |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 45 |
Pages of publication | 16359 - 16367 |
a | 5.0341 ± 0.0007 Å |
b | 5.0341 ± 0.0007 Å |
c | 27.005 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 684.37 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 78 |
Hermann-Mauguin space group symbol | P 43 |
Hall space group symbol | P 4cw |
Residual factor for all reflections | 0.0519 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0574 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7704329.html
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Users of the data should acknowledge the original authors of the
structural data.