Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2017798
Preview
| Coordinates | 2017798.cif |
|---|---|
| Structure factors | 2017798.hkl |
| Original IUCr paper | HTML |
| Common name | dmh101 |
|---|---|
| Chemical name | Bis(μ~2~-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)- bis[(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II)]‒urea‒acetone (1/6/2) |
| Formula | C52 H80 Cu2 N12 O16 |
| Calculated formula | C52 H80 Cu2 N12 O16 |
| Title of publication | A urea adduct of bis(hinokitiolato)copper(II) |
| Authors of publication | Ho, Douglas M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m294 - m299 |
| a | 17.0125 ± 0.0002 Å |
| b | 11.047 ± 0.0002 Å |
| c | 17.2731 ± 0.0003 Å |
| α | 90° |
| β | 110.385 ± 0.001° |
| γ | 90° |
| Cell volume | 3042.95 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0943 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180846 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/77. |
2017798.cif 2017798.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017798.cif 2017798.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017798.cif 2017798.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2017798.cif 2017798.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017798.cif 2017798.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017798.cif 2017798.hkl |
| 4106 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017798 via cif-deposit CGI script. |
2017798.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.