Crystallography Open Database

Information card for entry 7120857

7120856 << 7120857 >> 7120858

Preview

Coordinates	7120857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H84 Ge N2 Si2 Zn
Calculated formula	C78 H84 Ge N2 Si2 Zn
SMILES	[Zn]([Ge]N([Si](C)(C)C)c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C)N([Si](C(C)C)(C(C)C)C(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
Title of publication	An Acyclic Zincagermylene: Rapid Activation of Dihydrogen at Sub-Ambient Temperature
Authors of publication	Juckel, Martin; Hicks, Jamie; Jiang, Dandan; Zhao, Lili; Frenking, Gernot; Jones, Cameron
Journal of publication	Chemical Communications
Year of publication	2017
a	15.104 ± 0.003 Å
b	19.536 ± 0.004 Å
c	23.139 ± 0.005 Å
α	90°
β	106.57 ± 0.03°
γ	90°
Cell volume	6544 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0499
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202936 (current)	2017-11-08	cif/ Adding structures of 7120857, 7120858, 7120859 via cif-deposit CGI script.	7120857.cif