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Information card for entry 1506554
Preview
Coordinates | 1506554.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C81.6 H89.4 B N2 O2 P2 Ru |
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Calculated formula | C81.6 H81 B N2 O2 P2 Ru |
SMILES | [RuH]12([P](Oc3ccc4ccccc4c3c3c(O[P]1(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)ccc1ccccc31)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)([NH2][C@H]([C@@H]([NH2]2)c1ccccc1)c1ccccc1)[H][BH3].c1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Applications of ruthenium hydride borohydride complexes containing phosphinite and diamine ligands to asymmetric catalytic reactions. |
Authors of publication | Guo, Rongwei; Chen, Xuanhua; Elpelt, Christian; Song, Datong; Morris, Robert H. |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 9 |
Pages of publication | 1757 - 1759 |
a | 18.059 ± 0.004 Å |
b | 18.096 ± 0.004 Å |
c | 21.949 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7173 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.2101 |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.1216 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506554.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506554.cif |
50397 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506553, 1506554 via cif-deposit CGI script. |
1506554.cif |
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