Crystallography Open Database

Information card for entry 7128531

Preview

Coordinates	7128531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H47 B Co F30 N5 O1.5 V
Calculated formula	C64 H42 B Co F30 N5 O1.5 V
Title of publication	Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.
Authors of publication	Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	56
Pages of publication	6903 - 6906
a	38.933 ± 0.017 Å
b	11.079 ± 0.005 Å
c	29.911 ± 0.013 Å
α	90°
β	105.567 ± 0.006°
γ	90°
Cell volume	12429 ± 9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
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	0.1413
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2251
Weighted residual factors for all reflections included in the refinement	0.27
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268517 (current)	2021-09-06	cif/ Updating files of 7128526, 7128527, 7128528, 7128529, 7128530, 7128531, 7128532 Original log message: Adding full bibliography for 7128526--7128532.cif.	7128531.cif
266619	2021-06-23	cif/ Adding structures of 7128526, 7128527, 7128528, 7128529, 7128530, 7128531, 7128532 via cif-deposit CGI script.	7128531.cif