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Information card for entry 4075775
Preview
| Coordinates | 4075775.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C95 H77 B N4 O4 P4 Rh4 |
|---|---|
| Calculated formula | C95 H77 B N4 O4 P4 Rh4 |
| SMILES | [Rh]1234([Rh]567([Rh]89([P](Cc%10[n]8n3c(c%10)C[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)([C]47([Rh]21([P](Cc1[n]2n6c(c1)C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])#[C]9c1ccc(cc1)C)C#[O])C#[O])C#[O].c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato] |
| Authors of publication | Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 1 |
| Pages of publication | 163 |
| a | 17.9746 ± 0.0003 Å |
| b | 27.7046 ± 0.0006 Å |
| c | 16.6001 ± 0.0003 Å |
| α | 90° |
| β | 90.846 ± 0.001° |
| γ | 90° |
| Cell volume | 8265.6 ± 0.3 Å3 |
| Cell temperature | 213.2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.687 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4075775.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075775.cif |
| 50660 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075768, 4075769, 4075770, 4075771, 4075772, 4075773, 4075774, 4075775, 4075776, 4075777, 4075778 via cif-deposit CGI script. |
4075775.cif |
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Users of the data should acknowledge the original authors of the
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