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Information card for entry 4330115
Preview
Coordinates | 4330115.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H120 Cl6 Cu3 N12 O3 S3 |
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Calculated formula | C69 H96 Cu3 N6 O3 S3 |
Title of publication | Bioinspired Enhancement of Superexchange: From 1,3,5-Trihydroxybenzene-Bridged to 1,3,5-Trimercaptobenzene-Bridged Trinuclear Copper(II) Complexes |
Authors of publication | Bastian Feldscher; Hubert Theil; Anja Stammler; Hartmut Bögge; Thorsten Glaser |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 8652 - 8654 |
a | 24.936 ± 0.004 Å |
b | 24.936 ± 0.004 Å |
c | 40.088 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 21587 ± 7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 173 |
Hermann-Mauguin space group symbol | P 63 |
Hall space group symbol | P 6c |
Residual factor for all reflections | 0.0377 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.0951 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179404 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/01. |
4330115.cif |
79363 | 2013-04-04 | cif/ Adding structures of 4330115 via cif-deposit CGI script. |
4330115.cif |
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Users of the data should acknowledge the original authors of the
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