Crystallography Open Database

Information card for entry 1556340

Preview

Coordinates	1556340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H86 B Cl4 F4 P6 Rh3
Calculated formula	C37 H86 B Cl4 F4 P6 Rh3
SMILES	[B](F)(F)(F)[F-].C1C[P@@](C)(C(C)(C)C)[Rh]2([P@]1(C)C(C)(C)C)[Cl]1[Rh]3([Cl]2[Rh]21[P@@](C(C)(C)C)(C)CC[P@]2(C(C)(C)C)C)[P@@](C(C)(C)C)(C)CC[P@]3(C(C)(C)C)C.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	9.6676 ± 0.0019 Å
b	12.005 ± 0.002 Å
c	12.658 ± 0.003 Å
α	109.83 ± 0.03°
β	94.19 ± 0.03°
γ	90.56 ± 0.03°
Cell volume	1377.3 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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.	1556340.cif