Crystallography Open Database

Information card for entry 1543517

Preview

Coordinates	1543517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H45 Ni P3 Zn2
Calculated formula	C20 H45 Ni P3 Zn2
SMILES	[Zn]12345([Zn]([Ni]1([P](C)(C)C)([P](C)(C)C)[P](C)(C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
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	9.2494 ± 0.0004 Å
b	10.0833 ± 0.0004 Å
c	15.9728 ± 0.0006 Å
α	100.172 ± 0.003°
β	92.322 ± 0.003°
γ	109.339 ± 0.004°
Cell volume	1375.66 ± 0.1 Å³
Cell temperature	107 ± 2 K
Ambient diffraction temperature	107 ± 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	0.0407
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
187022 (current)	2016-10-08	cif/ Updating files of 1543516, 1543517, 1543518, 1543519, 1543520 Original log message: Adding full bibliography for 1543516--1543520.cif.	1543517.cif
183891	2016-06-24	cif/ Adding structures of 1543516, 1543517, 1543518, 1543519, 1543520 via cif-deposit CGI script.	1543517.cif