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Information card for entry 7015463
Preview
Coordinates | 7015463.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H30 Cu N2 O4 |
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Calculated formula | C25 H30 Cu N2 O4 |
SMILES | [Cu]12([O]=C(O1)C)(OC(=[O]2)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Dual reactivity of N-heterocyclic carbenes towards copper(II) salts. |
Authors of publication | Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 12 |
Pages of publication | 3074 - 3076 |
a | 8.48 ± 0.003 Å |
b | 12.416 ± 0.004 Å |
c | 12.623 ± 0.004 Å |
α | 83.44 ± 0.007° |
β | 73.973 ± 0.006° |
γ | 71.022 ± 0.006° |
Cell volume | 1207.5 ± 0.7 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 | 0.1008 |
Residual factor for significantly intense reflections | 0.081 |
Weighted residual factors for significantly intense reflections | 0.2021 |
Weighted residual factors for all reflections included in the refinement | 0.213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179858 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/54. |
7015463.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015463.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015463.cif |
21158 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015461, 7015462, 7015463, 7015464, 7015465 via cif-deposit CGI script. |
7015463.cif |
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