Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029222
Preview
| Coordinates | 7029222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H106 N4 Ni9 O32 |
|---|---|
| Calculated formula | C64 H106 N4 Ni9 O32 |
| SMILES | c1cccc2CC(C)(C)[OH][Ni]345([O]=C(O[Ni]678([n]9ccccc9CC([OH]6)(C)C)[O]3(C)[Ni]369([O]=C(O3)C)[O]5([Ni]35([O]47C)([O](C(=[O]6)C)[Ni]46([O]=C(C)O3)([O]3C(C)=[O][Ni]7%10%11([O]%12(C)[Ni]%13%14%15([n]%16ccccc%16CC(C)(C)[OH]%14)[O]=C(O[Ni]%14%16%12([n]%12ccccc%12CC([OH]%14)(C)C)[O]%15(C)[Ni]3([O]%10%13C)([O]%11%16C)([O]=C(C)O4)[O]6C(=O)C)C)[O]=C(O7)C)[O]5C(=O)C)[O]89C)C)C)[n]12 |
| Title of publication | Synthesis and characterization of a new nonanuclear Ni(II) cluster from a pyridyl-alcohol ligand. |
| Authors of publication | Massard, Alexandre; Rogez, Guillaume; Braunstein, Pierre |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 1 |
| Pages of publication | 42 - 46 |
| a | 11.8147 ± 0.0004 Å |
| b | 11.8639 ± 0.0003 Å |
| c | 18.4813 ± 0.0007 Å |
| α | 95.379 ± 0.002° |
| β | 101.262 ± 0.002° |
| γ | 115.172 ± 0.002° |
| Cell volume | 2253.26 ± 0.14 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1533 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179998 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92. |
7029222.cif |
| 105546 | 2014-03-12 | cif/ Adding structures of 7029222 via cif-deposit CGI script. |
7029222.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.