Crystallography Open Database

Information card for entry 1565933

Preview

Coordinates	1565933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H90 P2 Pt2 S4
Calculated formula	C76 H90 P2 Pt2 S4
SMILES	C12(CC3CC(C1)CC(C2)C3)[S]1[Pt]([P](c2ccccc2)(c2ccccc2)c2ccccc2)(SC23CC4CC(C2)CC(C3)C4)[S](C23CC4CC(C2)CC(C3)C4)[Pt]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)SC12CC3CC(C1)CC(C2)C3
Title of publication	Atomically precise structures of Pt<sub>2</sub>(S-Adam)<sub>4</sub>(PPh<sub>3</sub>)<sub>2</sub> complexes and catalytic application in propane dehydrogenation.
Authors of publication	Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui
Journal of publication	Nanoscale
Year of publication	2022
Journal volume	14
Journal issue	6
Pages of publication	2482 - 2489
a	13.016 ± 0.002 Å
b	13.366 ± 0.003 Å
c	14.337 ± 0.002 Å
α	62.656 ± 0.018°
β	63.186 ± 0.019°
γ	69.974 ± 0.017°
Cell volume	1948.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.145
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.2075
Weighted residual factors for all reflections included in the refinement	0.2333
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
273378 (current)	2022-03-05	cif/ Updating files of 1565931, 1565932, 1565933 Original log message: Adding full bibliography for 1565931--1565933.cif.	1565933.cif
271981	2022-01-11	cif/ Adding structures of 1565931, 1565932, 1565933 via cif-deposit CGI script.	1565933.cif