Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540032
Preview
| Coordinates | 1540032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28.5 H63 Cl2 Cu2 N4 O19 Zn2 |
|---|---|
| Calculated formula | C28.5 H63 Cl2 Cu2 N4 O19 Zn2 |
| Title of publication | Directed synthesis of {CuZn} and {CuZn} heterometallic complexes. |
| Authors of publication | Heras Ojea, María José; Wilson, Claire; Coles, Simon J.; Tuna, Floriana; Murrie, Mark |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 44 |
| Pages of publication | 19275 - 19281 |
| a | 10.9593 ± 0.0012 Å |
| b | 13.8454 ± 0.0015 Å |
| c | 17.4039 ± 0.0019 Å |
| α | 109.186 ± 0.007° |
| β | 90.177 ± 0.007° |
| γ | 108.009 ± 0.007° |
| Cell volume | 2355.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2216 |
| Residual factor for significantly intense reflections | 0.1284 |
| Weighted residual factors for significantly intense reflections | 0.3062 |
| Weighted residual factors for all reflections included in the refinement | 0.3782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198667 (current) | 2017-07-12 | cif/1/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 1100147, 1101109, 1101141, 1500018, 1504625, 1505017, 1540032, 1540033, 1541802, 1541825, 1541826, 1541827, 1541865, 1541877. |
1540032.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1540032.cif |
| 171212 | 2015-12-09 | cif/ Updating files of 1540032, 1540033 Original log message: Adding full bibliography for 1540032--1540033.cif. |
1540032.cif |
| 169167 | 2015-10-15 | cif/ Adding structures of 1540032, 1540033 via cif-deposit CGI script. |
1540032.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.