Crystallography Open Database

Information card for entry 1556336

Preview

Coordinates	1556336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C135 H100 Cl6 F3 O3 P6 Rh3 S
Calculated formula	C135 H100 Cl6 F3 O3 P6 Rh3 S
SMILES	C(F)(F)(S(=O)(=O)[O-])F.c12c3ccccc3ccc1[P](c1ccccc1)([Rh]1([Cl]3[Rh]4([Cl]1[Rh]13[P](c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3c3c5ccccc5ccc3[P]1(c1ccccc1)c1ccccc1)[P](c1ccc3ccccc3c1c1c([P]4(c3ccccc3)c3ccccc3)ccc3c1cccc3)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccc3ccccc3c21)c1ccccc1.C(Cl)Cl.C(Cl)Cl
Title of publication	Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis
Authors of publication	Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef
Journal of publication	Catal. Sci. Technol.
Year of publication	2013
Journal volume	3
Journal issue	2
Pages of publication	462
a	16.493 ± 0.003 Å
b	23.276 ± 0.005 Å
c	16.775 ± 0.003 Å
α	90°
β	118.1 ± 0.03°
γ	90°
Cell volume	5681 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	0.554
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
244217 (current)	2019-11-28	cif/ Adding structures of 1556333, 1556334, 1556335, 1556336, 1556337, 1556338, 1556339, 1556340 via cif-deposit CGI script.	1556336.cif