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Information card for entry 7023642
Preview
| Coordinates | 7023642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C77 H91 B Cl2 Ir N6 O2 Rh |
|---|---|
| Calculated formula | C77 H91 B Cl2 Ir N6 O2 Rh |
| SMILES | [Ir]12345(n6n[n]([Rh]789%10%11([n]%12c(c%13c%11cccc%13)cccc%12)[c]%11([c]%10([c]9([c]8([c]7%11C)C)C)C)C)nc6C)([n]6c(c7c5cccc7)cccc6)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.ClCCl.O(CC)CC.O(CC)CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes. |
| Authors of publication | Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 40 |
| Pages of publication | 14556 - 14567 |
| a | 13.7305 ± 0.0004 Å |
| b | 15.6553 ± 0.0009 Å |
| c | 18.2761 ± 0.0008 Å |
| α | 67.466 ± 0.003° |
| β | 76.436 ± 0.002° |
| γ | 82.757 ± 0.002° |
| Cell volume | 3524.5 ± 0.3 Å3 |
| Cell temperature | 192 ± 2 K |
| Ambient diffraction temperature | 192 ± 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1554 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179941 (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 7/02/36. |
7023642.cif |
| 90592 | 2013-11-18 | cif/ Adding structures of 7023631, 7023632, 7023633, 7023634, 7023635, 7023636, 7023637, 7023638, 7023639, 7023640, 7023641, 7023642 via cif-deposit CGI script. |
7023642.cif |
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