Crystallography Open Database

Information card for entry 7126346

Preview

Coordinates	7126346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.095 H1.905 B0.19 F0.762 N0.571
Calculated formula	C2.09524 H1.90476 B0.190476 F0.761905 N0.571429
Title of publication	An allenylidene Au(i) catalyst derived from triazole units and its initial application.
Authors of publication	Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	43
Pages of publication	5787 - 5790
a	27.272 ± 0.002 Å
b	6.921 ± 0.0006 Å
c	14.9043 ± 0.0014 Å
α	90°
β	116.111 ± 0.003°
γ	90°
Cell volume	2526.1 ± 0.4 Å³
Ambient diffraction temperature	199.99 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.1321
Diffraction radiation wavelength	0.71073 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/7126346.html