Crystallography Open Database

Information card for entry 7060991

Preview

Coordinates	7060991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H131 Er5 N24 O33
Calculated formula	C124 H131 Er5 N24 O33
Title of publication	Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates
Authors of publication	Chen, Changjuan; Zhang, Aijiang
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	43
Pages of publication	20155 - 20163
a	35.344 ± 0.0016 Å
b	20.8374 ± 0.0014 Å
c	21.395 ± 0.0015 Å
α	90°
β	100.671 ± 0.003°
γ	90°
Cell volume	15484.4 ± 1.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
271190 (current)	2021-12-07	cif/ Updating files of 7060989, 7060990, 7060991, 7060992, 7060993 Original log message: Adding full bibliography for 7060989--7060993.cif.	7060991.cif
269453	2021-10-03	cif/ Adding structures of 7060989, 7060990, 7060991, 7060992, 7060993 via cif-deposit CGI script.	7060991.cif