Crystallography Open Database

Information card for entry 1546890

Preview

Coordinates	1546890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H70 B2 Ge2 N6
Calculated formula	C52 H70 B2 Ge2 N6
Title of publication	Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study
Authors of publication	Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	36
Pages of publication	12339 - 12353
a	15.39 ± 0.0007 Å
b	18.312 ± 0.002 Å
c	36.856 ± 0.005 Å
α	91.094 ± 0.011°
β	97.193 ± 0.005°
γ	91.257 ± 0.008°
Cell volume	10300.1 ± 1.9 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.1318
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546890.cif
199978	2017-08-29	cif/ Adding structures of 1546884, 1546885, 1546886, 1546887, 1546888, 1546889, 1546890, 1546891 via cif-deposit CGI script.	1546890.cif