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Information card for entry 4318574
Preview
| Coordinates | 4318574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | complex 4, Ce(tBuMeMe)3 |
|---|---|
| Formula | C33 H60 Ce N3 O6 |
| Calculated formula | C33 H60 Ce N3 O6 |
| SMILES | [Ce]12345(OC(=CC(=[N]3CC[O]1C)C)C(C)(C)C)(OC(=CC(=[N]4CC[O]2C)C)C(C)(C)C)OC(=CC(=[N]5CCOC)C)C(C)(C)C |
| Title of publication | Synthesis and Characterization of Volatile, Fluorine-Free β-Ketoiminate Lanthanide MOCVD Precursors and Their Implementation in Low-Temperature Growth of Epitaxial CeO2 Buffer Layers for Superconducting Electronics |
| Authors of publication | Nikki L. Edleman; Anchuan Wang; John A. Belot; Andrew W. Metz; Jason R. Babcock; Amber M. Kawaoka; Jun Ni; Matthew V. Metz; Christine J. Flaschenriem; Charlotte L. Stern; Louise M. Liable-Sands; Arnold L. Rheingold; Paul R. Markworth; Robert P. H. Chang; Michael P. Chudzik; Carl R. Kannewurf; Tobin J. Marks |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 5005 - 5023 |
| a | 17.504 ± 0.0002 Å |
| b | 21.1598 ± 0.0002 Å |
| c | 23.0715 ± 0.0002 Å |
| α | 112.885 ± 0.0006° |
| β | 90.9699 ± 0.0011° |
| γ | 99.5012 ± 0.0007° |
| Cell volume | 7733.61 ± 0.14 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179265 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/85. |
4318574.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318574.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318574.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4318574.cif |
| 15291 | 2011-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4318574 via cif-deposit CGI script. |
4318574.cif |
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Users of the data should acknowledge the original authors of the
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