Crystallography Open Database

Information card for entry 1567796

Preview

Coordinates	1567796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.96 H11.84 Cl0.02 N2 O5.98 Pt0.02 S0.98
Calculated formula	C14.959 H11.836 Cl0.0205 N2 O5.9795 Pt0.0205 S0.9795
Title of publication	Carboxylic acid ligand substituent impacts hydrosilylation activity of platinum single atom catalysts on ceria
Authors of publication	Maciulis, Nicholas A.; Wasim, Eman; Rezvani, Fereshteh; Pink, Maren; Sterbinsky, George E.; Caulton, Kenneth G.; Tait, Steven L.
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	24
Pages of publication	7349 - 7360
a	14.2283 ± 0.0005 Å
b	12.4939 ± 0.0004 Å
c	8.2937 ± 0.0002 Å
α	90°
β	98.4225 ± 0.0012°
γ	90°
Cell volume	1458.44 ± 0.08 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
280155 (current)	2023-01-06	cif/ Updating files of 1567796 Original log message: Adding full bibliography for 1567796.cif.	1567796.cif
278627	2022-10-19	cif/ Adding structures of 1567796 via cif-deposit CGI script.	1567796.cif