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Information card for entry 4324582
Preview
Coordinates | 4324582.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H86 Cu2 N10 O |
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Calculated formula | C73 H86 Cu2 N10 O |
SMILES | [Cu]1(N(c2c(c(ccc2)C)C)C=C(C=[N]1c1c(c(ccc1)C)C)c1c2Oc3c(C4=CN([Cu]([N](=C4)c4c(c(ccc4)C)C)[N]#CC)c4c(c(ccc4)C)C)cc(cc3C(c2cc(c1)C(C)(C)C)(C)C)C(C)(C)C)[N]#CC.N#CC.N#CC.N#CC.N#CC |
Title of publication | Dinuclear Copper Complexes Based on Parallel β-Diiminato Binding Sites and their Reactions with O2: Evidence for a Cu-O-Cu Entity |
Authors of publication | Peter Haack; Christian Limberg; Kallol Ray; Beatrice Braun; Uwe Kuhlmann; Peter Hildebrandt; Christian Herwig |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 2133 - 2142 |
a | 16.0571 ± 0.0008 Å |
b | 16.0722 ± 0.0009 Å |
c | 16.1381 ± 0.0009 Å |
α | 98.674 ± 0.004° |
β | 105.632 ± 0.004° |
γ | 119.08 ± 0.004° |
Cell volume | 3302.9 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1369 |
Residual factor for significantly intense reflections | 0.0752 |
Weighted residual factors for significantly intense reflections | 0.1596 |
Weighted residual factors for all reflections included in the refinement | 0.1829 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4324582.html
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Users of the data should acknowledge the original authors of the
structural data.