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Information card for entry 4082172
Preview
| Coordinates | 4082172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H60 B2 Cl2 F8 Ir2 N2 P2 |
|---|---|
| Calculated formula | C48 H60 B2 Cl2 F8 Ir2 N2 P2 |
| SMILES | [Ir]12345(Cl)([P@](CCCC[P@]6([Ir]789%10(Cl)([n]%11c(C6)cccc%11)[c]6([c]%10([c]9([c]8([c]76C)C)C)C)C)c6ccccc6)(Cc6[n]1cccc6)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[Ir]12345(Cl)([P@@](CCCC[P@@]6([Ir]789%10(Cl)([n]%11c(C6)cccc%11)[c]6([c]%10([c]9([c]8([c]76C)C)C)C)C)c6ccccc6)(Cc6[n]1cccc6)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4) |
| Authors of publication | Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 24 |
| Pages of publication | 7470 |
| a | 12.604 ± 0.003 Å |
| b | 12.62 ± 0.002 Å |
| c | 16.605 ± 0.003 Å |
| α | 73.122 ± 0.004° |
| β | 86.232 ± 0.006° |
| γ | 85.528 ± 0.006° |
| Cell volume | 2517.2 ± 0.9 Å3 |
| Cell temperature | 123.1 K |
| Ambient diffraction temperature | 123 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 significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4082172.cif |
| 92208 | 2014-01-12 | cif/ Adding structures of 4082164, 4082165, 4082166, 4082167, 4082168, 4082169, 4082170, 4082171, 4082172, 4082173 via cif-deposit CGI script. |
4082172.cif |
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Users of the data should acknowledge the original authors of the
structural data.