Crystallography Open Database

Information card for entry 7057657

Preview

Coordinates	7057657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 Br2 N3 Pd S
Calculated formula	C27 H21 Br2 N3 Pd S
Title of publication	Dibenzofuran and dibenzothiophene based palladium(ii)/NHC catalysts ‒ synthesis and applications in C‒C bond formation
Authors of publication	Karthik, Shanmugam; Gandhi, Thirumanavelan
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	19
Pages of publication	15811
a	8.903 ± 0.005 Å
b	9.681 ± 0.005 Å
c	16.055 ± 0.005 Å
α	104.731 ± 0.005°
β	95.807 ± 0.005°
γ	102.598 ± 0.005°
Cell volume	1288 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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/7057657.html