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Information card for entry 4313567
Preview
| Coordinates | 4313567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (dpap)2Rh(III)TPP, I |
|---|---|
| Formula | C86 H60 Cl6 I N4 P2 Rh |
| Calculated formula | C86 H60 Cl6 I N4 P2 Rh |
| SMILES | c12=C(c3ccc4=C(c5ccccc5)c5ccc6C(=c7ccc8[n]7[Rh]([n]34)([P](c3ccccc3)(c3ccccc3)C#Cc3ccccc3)(n2c(=C8c2ccccc2)cc1)(n56)[P](c1ccccc1)(c1ccccc1)C#Cc1ccccc1)c1ccccc1)c1ccccc1.[I-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Complexation of Diphenyl(phenylacetenyl)phosphine to Rhodium(III) Tetraphenyl Porphyrins: Synthesis and Structural, Spectroscopic, and Thermodynamic Studies |
| Authors of publication | Eugen Stulz; Sonya M. Scott; Andrew D. Bond; Sijbren Otto; Jeremy K. M. Sanders |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 3086 - 3096 |
| a | 25.953 ± 0.0006 Å |
| b | 11.612 ± 0.0002 Å |
| c | 23.8501 ± 0.0006 Å |
| α | 90° |
| β | 91.116 ± 0.001° |
| γ | 90° |
| Cell volume | 7186.3 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0442 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4313567.cif |
| 179196 | 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 4/31/35. |
4313567.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313567.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313567.cif |
| 6636 | 2011-01-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4313567 via cif-deposit CGI script. |
4313567.cif |
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