Crystallography Open Database

Information card for entry 1506554

Preview

Coordinates	1506554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81.6 H89.4 B N2 O2 P2 Ru
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 F_obs	No

Version history

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