Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7023301
Preview
| Coordinates | 7023301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H56 B2 F18 N18 P3 Rh S6 |
|---|---|
| Calculated formula | C42 H56 B2 F18 N18 P3 Rh S6 |
| SMILES | c1cc(cc[n]1[B]12N3C(N(C)C=C3)=[S][Rh]34([S]=C5N2C=CN5C)([S]=C2N([B]([n]5ccc(cc5)N(C)C)(N5C(N(C)C=C5)=[S]4)N4C(N(C)C=C4)=[S]3)C=CN2C)[S]=C2N1C=CN2C)N(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C.[P](F)(F)(F)(F)(F)[F-].C(#N)C |
| Title of publication | Homoleptic 'sandwich' complexes of substituted tris(methimazolyl)borate ligands with ruthenium, rhodium and palladium. |
| Authors of publication | Bailey, Philip J.; Bell, Nicola L.; Nichol, Gary S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 31 |
| Pages of publication | 11281 - 11294 |
| a | 9.7354 ± 0.0003 Å |
| b | 9.9613 ± 0.0003 Å |
| c | 16.6355 ± 0.0007 Å |
| α | 99.986 ± 0.003° |
| β | 91.995 ± 0.003° |
| γ | 90.774 ± 0.003° |
| Cell volume | 1587.55 ± 0.1 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.028 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209454 (current) | 2018-08-07 | cif/7/02/ Removing duplicate rows from the ATOM_TYPE loop in entries 7020557, 7020861, 7023299, 7023301, 7025796, 7026763, 7027855, 7028009, 7028478, 7029206. |
7023301.cif |
| 179938 | 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 7/02/33. |
7023301.cif |
| 90491 | 2013-11-17 | cif/ Adding structures of 7023299, 7023300, 7023301, 7023302 via cif-deposit CGI script. |
7023301.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.