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Information card for entry 7005123
Preview
| Coordinates | 7005123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H60 N8 Zr |
|---|---|
| Calculated formula | C26 H60 N8 Zr |
| SMILES | [Zr]12([N](C(C)C)=C(N(C)CC)N2C(C)C)([N](C(C)C)=C(N(C)CC)N1C(C)C)(N(CC)C)N(CC)C |
| Title of publication | Synthesis and characterisation of zirconium-amido guanidinato complex: a potential precursor for ZrO2 thin films. |
| Authors of publication | Devi, Anjana; Bhakta, Raghunandan; Milanov, Andrian; Hellwig, Malte; Barreca, Davide; Tondello, Eugene; Thomas, Reji; Ehrhart, Peter; Winter, Manuela; Fischer, Roland |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 17 |
| Pages of publication | 1671 - 1676 |
| a | 10.8201 ± 0.0018 Å |
| b | 17.638 ± 0.002 Å |
| c | 33.626 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6417.4 ± 1.6 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1809 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7005123.cif |
| 179755 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/51. |
7005123.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005123.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005123.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005123.cif |
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