Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228228
Preview
| Coordinates | 2228228.cif |
|---|---|
| Structure factors | 2228228.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[μ-10,21-dimethyl-2,7,13,18-tetraphenyl-3,6,14,17- tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8,10,12(24),13,17,19,21- decaene-23,24-diolato]dicopper(II) ethanol hemisolvate dihydrate |
|---|---|
| Formula | C47 H45 Cl2 Cu2 N4 O4.5 |
| Calculated formula | C94 H90 Cl4 Cu4 N8 O9 |
| Title of publication | Dichlorido[μ-10,21-dimethyl-2,7,13,18-tetraphenyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8,10,12(24),13,17,19,21-decaene-23,24-diolato]dicopper(II) ethanol hemisolvate dihydrate |
| Authors of publication | Gupta, Sushil K.; Anjana, Chanda; Butcher, Ray J.; Sen, Neha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1531 - m1532 |
| a | 15.1983 ± 0.0004 Å |
| b | 16.268 ± 0.0005 Å |
| c | 19.3344 ± 0.0005 Å |
| α | 90° |
| β | 103.964 ± 0.002° |
| γ | 90° |
| Cell volume | 4639.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/82. |
2228228.cif 2228228.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228228.cif 2228228.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228228.cif 2228228.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. | 2228228.cif 2228228.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228228.cif 2228228.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228228.cif 2228228.hkl |
| 5765 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228222, 2228223, 2228224, 2228225, 2228226, 2228227, 2228228, 2228229, 2228230, 2228231 via cif-deposit CGI script. |
2228228.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.