Crystallography Open Database

Information card for entry 1552873

Preview

Coordinates	1552873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H51 Cl9 N2 O3 P3 Rh
Calculated formula	C55 H51 Cl9 N2 O3 P3 Rh
SMILES	C(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#N)[P](C(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#N)(C1CCCCC1)[Rh]1([O]=C(C)C=C(O1)C)C#[O].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations
Authors of publication	Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.
Journal of publication	Catalysis Science & Technology
Year of publication	2019
a	11.00739 ± 0.00005 Å
b	22.02102 ± 0.00012 Å
c	24.05162 ± 0.00013 Å
α	90°
β	102.989 ± 0.0005°
γ	90°
Cell volume	5680.79 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0305
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
227739 (current)	2019-11-14	cif/ Adding structures of 1552866, 1552867, 1552868, 1552869, 1552870, 1552871, 1552872, 1552873, 1552874, 1552875 via cif-deposit CGI script.	1552873.cif