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Information card for entry 2212377
Preview
Coordinates | 2212377.cif |
---|---|
Structure factors | 2212377.hkl |
Original IUCr paper | HTML |
Chemical name | Hexakis-μ-chloro-dichloro-bis[(3,5-dimethylpyrazol-1-yl)acetic acid-κ^2^N,N']tetracopper(II) |
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Formula | C24 H32 Cl8 Cu4 N8 O4 |
Calculated formula | C24 H32 Cl8 Cu4 N8 O4 |
SMILES | [n]12[Cu]34([n]5c(C)cc(C)n5C(C(=O)O)n2c(cc1C)C)[Cl][Cu]([Cl]3)(Cl)[Cl][Cu]12([n]3c(C)cc(C)n3C(C(=O)O)n3c(C)cc([n]13)C)[Cl][Cu]([Cl]4)([Cl]2)Cl |
Title of publication | Hexakis-μ-chlorido-dichloridobis[(3,5-dimethylpyrazol-1-yl)acetic acid-κ^2^<i>N</i>,<i>N</i>']tetracopper(II): an unexpected neutral bis-pyrazolyl ligand in a tetracopper(II) complex |
Authors of publication | Pevec, Andrej; KozlevÄŤar, Bojan; Gamez, Patrick; Reedijk, Jan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 2 |
Pages of publication | m514 - m516 |
a | 9.3869 ± 0.0002 Å |
b | 10.6666 ± 0.0002 Å |
c | 10.7902 ± 0.0003 Å |
α | 117.609 ± 0.001° |
β | 98.685 ± 0.001° |
γ | 98.2172 ± 0.0016° |
Cell volume | 918 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0421 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0657 |
Weighted residual factors for all reflections included in the refinement | 0.0711 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/2212377.html
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