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Information card for entry 2219370
Preview
Coordinates | 2219370.cif |
---|---|
Structure factors | 2219370.hkl |
Original IUCr paper | HTML |
Chemical name | [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo\[4,5-<i>h</i>;4',5'- <i>c</i>][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate |
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Formula | C16 H34 Cu2 N8 O17 |
Calculated formula | C16 H34 Cu2 N8 O17 |
SMILES | c1(C)[n]2c3c([nH]1)C[N]14Cc5c(C[N]6([Cu]2(OC(=O)C6)([OH2])[OH2])C3)[nH]c(C)[n]5[Cu]4(OC(=O)C1)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O |
Title of publication | [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-<i>h</i>;4',5'-<i>c</i>][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate |
Authors of publication | Luna-Ramírez, Karen S.; Bernès, Sylvain; Gasque, Laura |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 9 |
Pages of publication | m1135 - m1136 |
a | 7.7983 ± 0.0009 Å |
b | 8.7523 ± 0.0011 Å |
c | 22.509 ± 0.002 Å |
α | 91.802 ± 0.01° |
β | 93.479 ± 0.009° |
γ | 114.023 ± 0.011° |
Cell volume | 1398 ± 0.3 Å3 |
Cell temperature | 296 ± 1 K |
Ambient diffraction temperature | 296 ± 1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0823 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/2219370.html
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