Crystallography Open Database

Information card for entry 7126516

Preview

Coordinates	7126516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H186 Cu2 Ge18 K4 N11 O27
Calculated formula	C99 H186 Cu2 Ge18 K4 N11 O26.91
Title of publication	All-metal σ-antiaromaticity in dimeric cluster anion {[CuGe<sub>9</sub>Mes]<sub>2</sub>}<sup>4</sup>.
Authors of publication	Wang, Zi-Chuan; Tkachenko, Nikolay V.; Qiao, Lei; Matito, Eduard; Muñoz-Castro, Alvaro; Boldyrev, Alexander I.; Sun, Zhong-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	48
Pages of publication	6583 - 6586
a	15.32218 ± 0.00012 Å
b	19.01622 ± 0.00016 Å
c	25.9169 ± 0.0002 Å
α	100.068 ± 0.0007°
β	101.739 ± 0.0007°
γ	105.504 ± 0.0007°
Cell volume	6911 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
253815 (current)	2020-07-06	cif/ Updating files of 7126516 Original log message: Adding full bibliography for 7126516.cif.	7126516.cif
251963	2020-05-12	cif/ Adding structures of 7126516 via cif-deposit CGI script.	7126516.cif