Crystallography Open Database

Information card for entry 7042044

7042043 << 7042044 >> 7042045

Preview

Coordinates	7042044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H78 F6 N4 Sb2
Calculated formula	C60 H78 F6 N4 Sb2
Title of publication	Small molecule activation: SbF3 auto-ionization supported by transfer and mesoionic NHC rearrangement.
Authors of publication	Alič, Blaž; Štefančič, Aleš; Tavčar, Gašper
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	10
Pages of publication	3338 - 3346
a	10.5992 ± 0.0001 Å
b	15.5739 ± 0.0002 Å
c	19.6928 ± 0.0002 Å
α	112.66 ± 0.001°
β	95.754 ± 0.001°
γ	90.099 ± 0.001°
Cell volume	2981.78 ± 0.06 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0418
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
195061 (current)	2017-04-05	cif/ Updating files of 7042042, 7042043, 7042044, 7042045 Original log message: Adding full bibliography for 7042042--7042045.cif.	7042044.cif
191999	2017-02-11	cif/ Adding structures of 7042042, 7042043, 7042044, 7042045 via cif-deposit CGI script.	7042044.cif