Crystallography Open Database

Information card for entry 4132334

Preview

Coordinates	4132334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H48 Ir Ta
Calculated formula	C25 H48 Ir Ta
Title of publication	Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.
Authors of publication	Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	10.6696 ± 0.001 Å
b	16.3169 ± 0.0016 Å
c	16.1767 ± 0.0015 Å
α	90°
β	92.512 ± 0.009°
γ	90°
Cell volume	2813.6 ± 0.5 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	4
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	0.0741
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for all reflections	0.1541
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	0.9892
Diffraction radiation probe	x-ray
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
242318 (current)	2019-11-26	cif/ Adding structures of 4132334 via cif-deposit CGI script.	4132334.cif