Crystallography Open Database

Information card for entry 4132336

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Coordinates	4132336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H158 Ir2 O16 Si4 Ta2
Calculated formula	C78 H158 Ir2 O16 Si4 Ta2
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	9.8249 ± 0.0008 Å
b	11.9731 ± 0.0009 Å
c	21.961 ± 0.0011 Å
α	94.585 ± 0.005°
β	95.53 ± 0.006°
γ	105.728 ± 0.007°
Cell volume	2459.9 ± 0.3 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for all reflections	0.1864
Weighted residual factors for significantly intense reflections	0.1659
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.0312
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242320 (current)	2019-11-26	cif/ Adding structures of 4132336 via cif-deposit CGI script.	4132336.cif