Crystallography Open Database

Information card for entry 1568978

Preview

Coordinates	1568978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H50 Bi3 F9 N4 O17 S3
Calculated formula	C52 H50 Bi3 F9 N4 O17 S3
Title of publication	Insertion of CO<sub>2</sub> and CS<sub>2</sub> into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.
Authors of publication	Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	19
Pages of publication	5214 - 5219
a	13.745 ± 0.004 Å
b	17.557 ± 0.005 Å
c	25.813 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	6229 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0552
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284218 (current)	2023-06-05	cif/ Updating files of 1568978, 1568979, 1568980 Original log message: Adding full bibliography for 1568978--1568980.cif.	1568978.cif
282909	2023-04-29	cif/ Adding structures of 1568978, 1568979, 1568980 via cif-deposit CGI script.	1568978.cif