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Information card for entry 7015707
Preview
Coordinates | 7015707.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H34 Cu N8 O4 |
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Calculated formula | C26 H34 Cu N8 O4 |
SMILES | C1(=O)C2(C)n3c(cc([n]3[Cu]34(O1)(OC(=O)C(C)(n1c(cc(C)[n]31)C)n1c(cc(C)[n]41)C)[n]1c(C)cc(C)n21)C)C |
Title of publication | Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters. |
Authors of publication | Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 17 |
Pages of publication | 4678 - 4686 |
a | 8.8389 ± 0.001 Å |
b | 9.665 ± 0.002 Å |
c | 15.97 ± 0.002 Å |
α | 90° |
β | 94.446 ± 0.01° |
γ | 90° |
Cell volume | 1360.2 ± 0.4 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1005 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1387 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179861 (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 7/01/57. |
7015707.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015707.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015707.cif |
21326 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015706, 7015707, 7015708, 7015709, 7015710 via cif-deposit CGI script. |
7015707.cif |
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Users of the data should acknowledge the original authors of the
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