Crystallography Open Database

Information card for entry 7159511

Preview

Coordinates	7159511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H31 Fe N2 O6
Calculated formula	C26 H31 Fe N2 O6
Title of publication	A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.
Authors of publication	Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	33
Pages of publication	6789 - 6793
a	33.115 ± 0.007 Å
b	8.069 ± 0.0016 Å
c	23.502 ± 0.005 Å
α	90°
β	128.93 ± 0.03°
γ	90°
Cell volume	4885 ± 3 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286182 (current)	2023-09-05	cif/ Updating files of 7159510, 7159511, 7159512, 7159513 Original log message: Adding full bibliography for 7159510--7159513.cif.	7159511.cif
285424	2023-08-02	cif/ Adding structures of 7159510, 7159511, 7159512, 7159513 via cif-deposit CGI script.	7159511.cif