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Information card for entry 4312095
Preview
| Coordinates | 4312095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H80 As3 Cl8 N O8 Re2 |
|---|---|
| Calculated formula | C84 H80 As3 Cl8 N O8 Re2 |
| SMILES | [Re]1(Cl)(Cl)(Cl)(Cl)OC(=O)CC(=O)O1.[Re]1(Cl)(Cl)(Cl)(Cl)OC(=O)CC(=O)O1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[NH+](CC)(CC)CC |
| Title of publication | Rhenium(IV)-Copper(II) Heterobimetallic Complexes with a Bridge Malonato Ligand. Synthesis, Crystal Structure, and Magnetic Properties |
| Authors of publication | Alicia Cuevas; Raúl Chiozzone; Carlos Kremer; Leopoldo Suescun; Alvaro Mombrú; Donatella Armentano; Giovanni De Munno; Francesc Lloret; Juan Cano; Juan Faus |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7823 - 7831 |
| a | 10.703 ± 0.001 Å |
| b | 11.629 ± 0.001 Å |
| c | 38.132 ± 0.005 Å |
| α | 88.44 ± 0.01° |
| β | 84.25 ± 0.01° |
| γ | 63.19 ± 0.01° |
| Cell volume | 4213.8 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1123 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.1746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258458 (current) | 2020-10-19 | cif/4 Fixing Z values and formulae |
4312095.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4312095.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312095.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312095.cif |
| 3600 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4312095 via cif-deposit CGI script. |
4312095.cif |
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