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Information card for entry 7017362
Preview
Coordinates | 7017362.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H72 Cu3 N6 O20 |
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Calculated formula | C44 H72 Cu3 N6 O20 |
SMILES | c12c(cc(cc2C[N]2(C)CC[N]3([Cu]42([O]1[Cu]1([O]2[Cu]56([N](Cc7c2c(cc(c7)C)OC)(CC[N]5(Cc2cc(cc(OC)c2[O]16)C)C)C)[OH2])[O]4c1c(C3)cc(cc1OC)C)[OH2])C)C)OC.N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].O.O |
Title of publication | Influence of the anions on the structure and magnetic properties of a series of bis(μ-diphenoxo)-bridged linear trinuclear copper(II) complexes: an experimental and theoretical study. |
Authors of publication | Botana, Luis; Ruiz, José; Seco, José Manuel; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Sillanpää, Reijo; Colacio, Enrique |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 46 |
Pages of publication | 12462 - 12471 |
a | 8.264 ± 0.005 Å |
b | 22.967 ± 0.005 Å |
c | 14.42 ± 0.005 Å |
α | 90 ± 0.005° |
β | 92.331 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 2735 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1161 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.1365 |
Weighted residual factors for all reflections included in the refinement | 0.164 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.71069 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/7017362.html
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