Crystallography Open Database

Information card for entry 7246354

Preview

Coordinates	7246354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 Fe N2 O6
Calculated formula	C23 H27 Fe N2 O6
SMILES	[Fe]1234(Oc5c(C=[N]4CC(C[N]3=Cc3c(O2)c(OC)ccc3)(C)C)cccc5OC)[O]=C(O1)C
Title of publication	A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations
Authors of publication	Diment, Wilfred T.; Rosetto, Gloria; Ezaz-Nikpay, Noura; Kerr, Ryan W. F.; Williams, Charlotte K.
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	6
Pages of publication	2262 - 2267
a	9.0238 ± 0.0002 Å
b	12.9234 ± 0.0002 Å
c	19.4802 ± 0.0003 Å
α	90°
β	96.797 ± 0.002°
γ	90°
Cell volume	2255.78 ± 0.07 Å³
Cell temperature	150 ± 0.5 K
Ambient diffraction temperature	150 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	0.0392
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283367 (current)	2023-05-05	cif/ Updating files of 7246353, 7246354 Original log message: Adding full bibliography for 7246353--7246354.cif.	7246354.cif
281168	2023-02-28	cif/ Adding structures of 7246353, 7246354 via cif-deposit CGI script.	7246354.cif