Crystallography Open Database

Information card for entry 7125614

Preview

Coordinates	7125614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H90 K N7
Calculated formula	C72 H90 K N7
Title of publication	Isolation of a potassium bis(1,2,3-triazol-5-ylidene)carbazolide: a stabilizing pincer ligand for reactive late transition metal complexes.
Authors of publication	Bezuidenhout, Daniela I.; Kleinhans, George; Guisado-Barrios, Gregorio; Liles, David C.; Ung, Gaël; Bertrand, Guy
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2014
Journal volume	50
Journal issue	19
Pages of publication	2431 - 2433
a	14.4327 ± 0.0003 Å
b	14.6585 ± 0.0003 Å
c	17.8114 ± 0.0004 Å
α	82.841 ± 0.0011°
β	74.731 ± 0.001°
γ	68.234 ± 0.001°
Cell volume	3374.5 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244395 (current)	2019-11-28	cif/ Adding structures of 7125614 via cif-deposit CGI script.	7125614.cif