Crystallography Open Database

Information card for entry 1573993

Preview

Coordinates	1573993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H37 Cl5 Co F3 I2 N2 P3
Calculated formula	C41.5 H37 Cl5 Co F3 I2 N2 P3
Title of publication	Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.
Authors of publication	Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	13
Pages of publication	5717 - 5725
a	12.5715 ± 0.0006 Å
b	13.3397 ± 0.0006 Å
c	15.6881 ± 0.0008 Å
α	87.496 ± 0.002°
β	73.663 ± 0.002°
γ	62.081 ± 0.001°
Cell volume	2218.77 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0553
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298798 (current)	2025-04-05	cif/ Updating files of 1573992, 1573993, 1573994 Original log message: Adding full bibliography for 1573992--1573994.cif.	1573993.cif
297884	2025-02-27	cif/ Adding structures of 1573992, 1573993, 1573994 via cif-deposit CGI script.	1573993.cif