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Information card for entry 4308361
Preview
| Coordinates | 4308361.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H82 Au Cl Ga2 N4 |
|---|---|
| Calculated formula | C58 H82 Au Cl Ga2 N4 |
| SMILES | [Au]([Ga]1(Cl)[N](=C(C)C=C(N1c1c(C(C)C)cccc1C(C)C)C)c1c(cccc1C(C)C)C(C)C)[Ga]1N(c2c(C(C)C)cccc2C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C |
| Title of publication | Insertion of Ga(DDP) into the Au‒Cl Bond of (PPh3)AuCl: A First Structurally Characterized Au‒Ga Bond |
| Authors of publication | Kempter, Andreas; Gemel, Christian; Fischer, Roland A. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 163 - 165 |
| a | 13.788 ± 0.002 Å |
| b | 17.9638 ± 0.0018 Å |
| c | 25.485 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6312.2 ± 1.2 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210154 (current) | 2018-08-26 | cif/4/30/ Updating bibliography in entries 4300861-4300862, 4308360-4308361. Marking entries 4300861-4300862 as duplicates of entries 4308361, 4308360. |
4308361.cif |
| 179121 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/83. |
4308361.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4308361.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308361.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308361.cif |
| 32063 | 2012-01-26 | cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct. |
4308361.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
4308361.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308361.cif |
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