Crystallography Open Database

Information card for entry 1543519

Preview

Coordinates	1543519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H150 P2 Pd3 Zn6
Calculated formula	C97.007 H150.008 P2 Pd3 Zn6
Title of publication	Zn⋯Zn interactions at nickel and palladium centers
Authors of publication	Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	10
Pages of publication	6413
a	12.2816 ± 0.0003 Å
b	13.0205 ± 0.0004 Å
c	29.8246 ± 0.0008 Å
α	100.247 ± 0.002°
β	97.965 ± 0.002°
γ	90.646 ± 0.002°
Cell volume	4644.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0472
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
187022 (current)	2016-10-08	cif/ Updating files of 1543516, 1543517, 1543518, 1543519, 1543520 Original log message: Adding full bibliography for 1543516--1543520.cif.	1543519.cif
183891	2016-06-24	cif/ Adding structures of 1543516, 1543517, 1543518, 1543519, 1543520 via cif-deposit CGI script.	1543519.cif