Crystallography Open Database

Information card for entry 7236017

Preview

Coordinates	7236017.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(3N-triazolyl)copper(I) tetrafluoroborate
Formula	C30 H26 B Cu F4 N6
Calculated formula	C30 H26 B Cu F4 N6
Title of publication	Copper(i)‒triazole dimer formation and rate acceleration in in-source click reaction
Authors of publication	Qiu, Ran; Luo, Hai
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	116
Pages of publication	96213
a	24.8641 ± 0.0012 Å
b	6.0228 ± 0.0003 Å
c	18.6609 ± 0.001 Å
α	90°
β	97.811 ± 0.005°
γ	90°
Cell volume	2768.6 ± 0.2 Å³
Cell temperature	180.01 ± 0.1 K
Ambient diffraction temperature	180.01 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7236017.html