Crystallography Open Database

Information card for entry 4132929

Preview

Coordinates	4132929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H82 B3 Cl4 F72 Pd13
Calculated formula	C140 H82 B3 Cl4 F72 Pd13
Title of publication	Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell.
Authors of publication	Teramoto, Masahiro; Iwata, Kosuke; Yamaura, Hiroshige; Kurashima, Kenta; Miyazawa, Koshi; Kurashige, Yuki; Yamamoto, Koji; Murahashi, Tetsuro
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	40
Pages of publication	12682 - 12686
a	23.2475 ± 0.0004 Å
b	22.7475 ± 0.0004 Å
c	28.3112 ± 0.0005 Å
α	90°
β	91.6402 ± 0.0007°
γ	90°
Cell volume	14965.5 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
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	0.0646
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242790 (current)	2019-11-26	cif/ Adding structures of 4132929 via cif-deposit CGI script.	4132929.cif