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Information card for entry 4504421
Preview
| Coordinates | 4504421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H50 Au6 Cu3 N30 O |
|---|---|
| Calculated formula | C42 H50 Au6 Cu3 N30 O |
| Title of publication | A Concert of Weak Interactions Generates the Very Complex {Cu(tmeda)[Au(CN)4]2}·1/3H2O Structure |
| Authors of publication | Katz, Michael J.; Kaluarachchi, Harini; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 1946 |
| a | 49.06 ± 0.002 Å |
| b | 24.6174 ± 0.0008 Å |
| c | 11.4733 ± 0.0006 Å |
| α | 90° |
| β | 100.313 ± 0.002° |
| γ | 90° |
| Cell volume | 13632.8 ± 1 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for all reflections | 0.1225 |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8671 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | Copper |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4504421.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4504421.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504421.cif |
| 45118 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504420, 4504421 via cif-deposit CGI script. |
4504421.cif |
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