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Information card for entry 4324674
Preview
| Coordinates | 4324674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | complex4 |
|---|---|
| Formula | C44 H54 B F4 N4 O P2 Rh |
| Calculated formula | C44 H54 B F4 N4 O P2 Rh |
| SMILES | [Rh]1([P](c2cc(c3cccc4c5c(oc34)c(ccc5)c3cccc([P]1(C(C)C)C(C)C)c3)ccc2)(C(C)C)C(C)C)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].CC#N.CC#N |
| Title of publication | Study of the Conformationally Flexible, Wide Bite-Angle Diphosphine 4,6-Bis(3-diisopropylphosphinophenyl)dibenzofuran in Rhodium(I) and Palladium(II) Coordination Complexes |
| Authors of publication | Keying Ding; Deanna L. Miller; Victor G. Young; Connie C. Lu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 2545 - 2552 |
| a | 25.253 ± 0.006 Å |
| b | 11.484 ± 0.003 Å |
| c | 30.963 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8979 ± 4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0715 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1669 |
| Weighted residual factors for all reflections included in the refinement | 0.1764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.296 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| 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. |
4324674.cif |
| 198633 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4324674.cif |
| 179349 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46. |
4324674.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324674.cif |
| 42892 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4324674 via cif-deposit CGI script. |
4324674.cif |
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