Crystallography Open Database

Information card for entry 4124545

Preview

Coordinates	4124545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C239 H186 Cl14 F24 N20 O24 P8 Ru4
Calculated formula	C239 H186 Cl14 F24 N20 O24 P8 Ru4
Title of publication	A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.
Authors of publication	Geri, Jacob B.; Szymczak, Nathaniel K.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	40
Pages of publication	12808 - 12814
a	11.5513 ± 0.0002 Å
b	26.1563 ± 0.0005 Å
c	19.7946 ± 0.0014 Å
α	90°
β	103.361 ± 0.007°
γ	90°
Cell volume	5818.8 ± 0.5 Å³
Cell temperature	85 K
Ambient diffraction temperature	85 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1871
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
170077 (current)	2015-11-06	cif/ Updating files of 4124543, 4124544, 4124545, 4124546, 4124547, 4124548 Original log message: Adding full bibliography for 4124543--4124548.cif.	4124545.cif
159522	2015-10-02	cif/ Adding structures of 4124543, 4124544, 4124545, 4124546, 4124547, 4124548 via cif-deposit CGI script.	4124545.cif