Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4309095
Preview
| Coordinates | 4309095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (m-2,2bpym)[Cu(AsPh3)2]2(BF4)2 |
|---|---|
| Chemical name | [(m-2,2bipyrimidin)dicopper-bis-triphenylarsin]di-terafluoroborat |
| Formula | C80 H70 As4 B2 Cu2 F8 N4 O2 |
| Calculated formula | C80 H70 As4 B2 Cu2 F8 N4 O0.578 |
| Title of publication | Geometrical and Electronic Structures of Dinuclear Complex Ions {(μ-bpym)[Cu(EAr3)2]2}2+ with Intramolecular "Organic Sandwich" Formation (E = P or As; Ar = Aryl; bpym = 2,2'-Bipyrimidine) |
| Authors of publication | Monika Sieger; Conny Vogler; Axel Klein; Axel Knödler; Matthias Wanner; Jan Fiedler; Stanislav Záliš; Theo L. Snoeck; Wolfgang Kaim |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 4637 - 4643 |
| a | 11.875 ± 0.002 Å |
| b | 12.704 ± 0.003 Å |
| c | 14.941 ± 0.003 Å |
| α | 64.9 ± 0.03° |
| β | 71.89 ± 0.03° |
| γ | 74.6 ± 0.03° |
| Cell volume | 1916.5 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0905 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179128 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/90. |
4309095.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309095.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309095.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309095.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.