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Information card for entry 1501474
Preview
| Coordinates | 1501474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H38 Cd Cl N5 O8 |
|---|---|
| Calculated formula | C46 H38 Cd Cl N5 O8 |
| SMILES | [O-]Cl(=O)(=O)=O.O=C(c1ccccc1)Oc1ccccc1C1=[O][Cd]234(O1)[n]1ccccc1C[N]2(Cc1[n]4c(ccc1)c1ccccc1)Cc1[n]3c(ccc1)c1ccccc1.CC#N |
| Title of publication | Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes |
| Authors of publication | Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau |
| Journal of publication | Chemical Communications |
| Year of publication | 2011 |
| Journal volume | 47 |
| Journal issue | 37 |
| Pages of publication | 10431 - 10433 |
| a | 13.2066 ± 0.0002 Å |
| b | 13.243 ± 0.0001 Å |
| c | 14.306 ± 0.0002 Å |
| α | 102.54 ± 0.0009° |
| β | 116.809 ± 0.0006° |
| γ | 99.7178 ± 0.0009° |
| Cell volume | 2075.18 ± 0.05 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501474.cif |
| 174551 | 2016-01-19 | cif/1/50/ (antanas@kurmis) Updating bibliography for entries 1501471, 1501472, 1501473, 1501474. |
1501474.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501474.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501474.cif |
| 24923 | 2011-09-08 | ../uploads/cif-deposit/cod/cif Adding structures of 1501471, 1501472, 1501473, 1501474 via cif-deposit CGI script. |
1501474.cif |
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