Crystallography Open Database

Information card for entry 4514353

Preview

Coordinates	4514353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 Fe N2 O S4
Calculated formula	C32 H32 Fe N2 O S4
Title of publication	Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes
Authors of publication	Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	2
Pages of publication	1076
a	10.4477 ± 0.0004 Å
b	12.8949 ± 0.0005 Å
c	13.2739 ± 0.0006 Å
α	64.316 ± 0.001°
β	67.177 ± 0.001°
γ	79.099 ± 0.002°
Cell volume	1484.95 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
206133 (current)	2018-02-04	cif/ Updating files of 4514352, 4514353, 4514354 Original log message: Adding full bibliography for 4514352--4514354.cif.	4514353.cif
205084	2018-01-12	cif/ Adding structures of 4514353 via cif-deposit CGI script.	4514353.cif