Crystallography Open Database

Information card for entry 7241648

Preview

Coordinates	7241648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H24 Cl N2 O3 Re
Calculated formula	C45 H24 Cl N2 O3 Re
Title of publication	A rhenium catalyst with bifunctional pyrene groups boosts natural light-driven CO2 reduction
Authors of publication	Qiu, Li-Qi; Chen, Kai-Hong; Yang, Zhi-Wen; He, Liang-Nian
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	24
Pages of publication	8614 - 8622
a	7.2328 ± 0.0014 Å
b	19.384 ± 0.004 Å
c	25.55 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3582.1 ± 1.2 Å³
Cell temperature	133.15 K
Ambient diffraction temperature	133.15 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260797 (current)	2021-01-07	cif/ Updating files of 7241648 Original log message: Adding full bibliography for 7241648.cif.	7241648.cif
259412	2020-12-01	cif/ Adding structures of 7241648 via cif-deposit CGI script.	7241648.cif