Crystallography Open Database

Information card for entry 1556334

Preview

Coordinates	1556334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H86 B Cl4 F4 O6 P6 Rh3
Calculated formula	C85 H86 B Cl4 F4 O6 P6 Rh3
SMILES	[B](F)(F)(F)[F].C1C[P@@]([Rh]2([Cl]3[Rh]4([P@@](c5ccccc5)(c5ccccc5OC)CC[P@]4(c4ccccc4)c4ccccc4OC)[Cl]2[Rh]23[P@](CC[P@]2(c2ccccc2)c2c(OC)cccc2)(c2c(OC)cccc2)c2ccccc2)[P@]1(c1c(cccc1)OC)c1ccccc1)(c1c(OC)cccc1)c1ccccc1.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	13.136 ± 0.003 Å
b	13.405 ± 0.003 Å
c	14.779 ± 0.003 Å
α	85.58 ± 0.03°
β	68.44 ± 0.03°
γ	68.06 ± 0.03°
Cell volume	2239.6 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	1556334.cif