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Information card for entry 2240142
Preview
| Coordinates | 2240142.cif |
|---|---|
| Structure factors | 2240142.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-1κ<i>C</i>:2(η^2^)-Carbonyl-carbonyl-1κ<i>C</i>-\ chlorido-2κ<i>Cl</i>-μ-chloridoborylene-1:2κ^2^<i>B</i>:<i>B</i>-\ [1(η^5^)-pentamethylcyclopentadienyl](tricyclohexylphosphane-\ 2κ<i>P</i>)iron(II)platinum(II) benzene monosolvate |
|---|---|
| Formula | C36 H54 B Cl2 Fe O2 P Pt |
| Calculated formula | C36 H54 B Cl2 Fe O2 P Pt |
| SMILES | [Pt]12([Fe]3456(B1Cl)(C2=O)(C#[O])[c]1([c]6([c]5([c]4([c]31C)C)C)C)C)(Cl)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.c1ccccc1 |
| Title of publication | Crystal structure of μ-1κ<i>C</i>:2(η^2^)-carbonyl-carbonyl-1κ<i>C</i>-chlorido-2κ<i>Cl</i>-μ-chloridoborylene-1:2κ^2^<i>B</i>:<i>B</i>-[1(η^5^)-pentamethylcyclopentadienyl](tricyclohexylphosphane-2κ<i>P</i>)iron(II)platinum(II) benzene monosolvate |
| Authors of publication | Braunschweig, Holger; Kramer, Thomas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 421 - 423 |
| a | 9.4578 ± 0.0002 Å |
| b | 12.6902 ± 0.0003 Å |
| c | 30.513 ± 0.0009 Å |
| α | 90° |
| β | 96.334 ± 0.001° |
| γ | 90° |
| Cell volume | 3639.86 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240142.cif 2240142.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240142.cif 2240142.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240142.cif 2240142.hkl |
| 125976 | 2014-10-30 | cif/ hkl/ Adding structures of 2240142 via cif-deposit CGI script. |
2240142.cif 2240142.hkl |
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Users of the data should acknowledge the original authors of the
structural data.