Crystallography Open Database

Information card for entry 7127898

Preview

Coordinates	7127898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H92 F2 Ge N6 S6
Calculated formula	C71 H92 F2 Ge N6 S6
SMILES	[Ge]12(SC3N(C(=S)N(C=3S1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(SC1N(C(=S)N(C=1S2)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C.Fc1c(F)cccc1
Title of publication	Carbene-mediated synthesis of a germanium tris(dithiolene)dianion.
Authors of publication	Tran, Phuong M.; Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	20
Pages of publication	2543 - 2546
a	13.817 ± 0.001 Å
b	27.779 ± 0.002 Å
c	19.3544 ± 0.0013 Å
α	90°
β	107.003 ± 0.002°
γ	90°
Cell volume	7103.9 ± 0.9 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
263642 (current)	2021-04-05	cif/ Updating files of 7127898, 7127899 Original log message: Adding full bibliography for 7127898--7127899.cif.	7127898.cif
261776	2021-02-05	cif/ Adding structures of 7127898, 7127899 via cif-deposit CGI script.	7127898.cif