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Information card for entry 4322703
Preview
| Coordinates | 4322703.cif |
|---|---|
| Structure factors | 4322703.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H53 B D21 F15 N3 Si6 U |
|---|---|
| Calculated formula | C57 H53 B D21 F15 N3 Si6 U |
| Title of publication | Syntheses of the Uranium Complexes [U{N(SiMe3)2}2{N(SiMe3)(SiMe2CH2B(C6F5)3)}] and [U{C(Ph)(NSiMe3)2}2{μ3-BH4}2]. Determination of Hydrogen Positions by Single-Crystal X-ray and Neutron Diffraction |
| Authors of publication | Matthias Müller; V. Cliff Williams; Linda H. Doerrer; Michael A. Leech; Sax A. Mason; Malcolm L. H. Green; Keith Prout |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1998 |
| Journal volume | 37 |
| Pages of publication | 1315 - 1323 |
| a | 13.9927 ± 0.0005 Å |
| b | 14.4838 ± 0.0006 Å |
| c | 18.7195 ± 0.0006 Å |
| α | 82.81 ± 0.002° |
| β | 74.12 ± 0.002° |
| γ | 63.054 ± 0.002° |
| Cell volume | 3252.9 ± 0.2 Å3 |
| Cell temperature | 20 K |
| Ambient diffraction temperature | 20 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 significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Goodness-of-fit parameter for significantly intense reflections | 1.1781 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.5394 Å |
| Diffraction radiation type | thermalneutrons |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4322703.cif 4322703.hkl |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4322703.cif 4322703.hkl |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4322703.cif 4322703.hkl |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322703.cif 4322703.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 4322703.cif 4322703.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322703.cif 4322703.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4322703.cif 4322703.hkl |
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. |
4322703.cif 4322703.hkl |
| 22779 | 2011-07-19 | hkl/4 A few structure factor files from. Inorg. Chem. 1998 |
4322703.cif 4322703.hkl |
| 21590 | 2011-06-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4322703 via cif-deposit CGI script. |
4322703.cif |
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Users of the data should acknowledge the original authors of the
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