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Information card for entry 4307205
Preview
| Coordinates | 4307205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ru(Cp*)(H)~2~{κ^2^-P,P-(^i^Pr)~2~PNH(CH~2~)~2~NHP(^i^Pr)~2~}]BPh~4~ |
|---|---|
| Chemical name | (Pentahapto-pentamethylcyclopentadienyl)-(dihydride)- {bis(diisopropylphosphino-N,N')ethylenediamine-κ^2^-P,P'}-ruthenium tetraphenylborate |
| Formula | C48 H71 B N2 P2 Ru |
| Calculated formula | C48 H71 B N2 P2 Ru |
| SMILES | [RuH2]12345([P](NCCN[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Half-Sandwich Hydride Complexes of Ruthenium with Bidentate Phosphinoamine Ligands: Proton-Transfer Reactions to [(C5R5)RuH(L)] [R = H, Me; L = dippae, (R,R)-dippach] |
| Authors of publication | Manuel Jiménez-Tenorio; M. Dolores Palacios Tejero; M.Carmen Puerta; Pedro Valerga |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 1001 - 1012 |
| a | 11.9028 ± 0.0006 Å |
| b | 20.1254 ± 0.0011 Å |
| c | 19.618 ± 0.0011 Å |
| α | 90° |
| β | 97.64 ± 0.001° |
| γ | 90° |
| Cell volume | 4657.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194597 (current) | 2017-03-29 | cif/4/ (antanas@echidna.ibt.lt) Replacing the "\K" substring with the "\k" substring in the values of the _chemical_name_common and _chemical_name_systematic data items in entries 4063887, 4063888, 4063889, 4063890, 4063891, 4063892, 4063893, 4064692, 4064693, 4064694, 4065699, 4304592, 4307205, 4317613, 4333324, 4333326. |
4307205.cif |
| 179110 | 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 4/30/72. |
4307205.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307205.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307205.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307205.cif |
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