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Information card for entry 4067347
Preview
| Coordinates | 4067347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H74 Mn2 N6 O10 Si2 Zr |
|---|---|
| Calculated formula | C66 H74 Mn2 N6 O10 Si2 Zr |
| SMILES | C1([Mn](C#[O])(C#[O])(C#[O])(C#[O])[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])N(N(c2ccccc2)c2ccccc2)[Zr]23(N(CC(CN2[Si](C)(C)C(C)(C)C)(C)c2cccc[n]32)[Si](C)(C(C)(C)C)C)([n]2ccccc2)[O]=1.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Bridging N-Aminoisocyanate Ligands in Heterobimetallic Complexes: Coupling of Zirconium Hydrazinediides and Transition-Metal Carbonyls |
| Authors of publication | Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 1 |
| Pages of publication | 28 |
| a | 13.124 ± 0.006 Å |
| b | 24.356 ± 0.012 Å |
| c | 21.617 ± 0.01 Å |
| α | 90° |
| β | 104.472 ± 0.012° |
| γ | 90° |
| Cell volume | 6691 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178564 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73. |
4067347.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067347.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067347.cif |
| 34166 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067345, 4067346, 4067347 via cif-deposit CGI script. |
4067347.cif |
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