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Information card for entry 4314678
Preview
| Coordinates | 4314678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30.5 H45.25 Cl N7.25 Ni O6.5 |
|---|---|
| Calculated formula | C30.5 H45.25 Cl N7.25 Ni O6.5 |
| Title of publication | O2-Dependent Aliphatic Carbon-Carbon Bond Cleavage Reactivity in a Ni(II) Enolate Complex Having a Hydrogen Bond Donor Microenvironment; Comparison with a Hydrophobic Analogue |
| Authors of publication | Katarzyna Grubel; Amy L. Fuller; Bonnie M. Chambers; Atta M. Arif; Lisa M. Berreau |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1071 - 1081 |
| a | 32.3396 ± 0.0008 Å |
| b | 11.4649 ± 0.0003 Å |
| c | 19.4692 ± 0.0003 Å |
| α | 90° |
| β | 93.1236 ± 0.0014° |
| γ | 90° |
| Cell volume | 7207.9 ± 0.3 Å3 |
| Cell temperature | 103 ± 1 K |
| Ambient diffraction temperature | 103 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1104 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1452 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4314678.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314678.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314678.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' ) & |
4314678.cif |
| 7821 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314678 via cif-deposit CGI script. |
4314678.cif |
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