Crystallography Open Database

Information card for entry 7057623

Preview

Coordinates	7057623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 Co F2 I N P2
Calculated formula	C23 H27 Co F2 I N P2
Title of publication	Preparation of hydrido [CNC]-pincer cobalt complexes via selective C‒H/C‒F bond activation and their catalytic performances
Authors of publication	Yang, Fei; Wang, Yangyang; Lu, Faguan; Xie, Shangqing; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	19
Pages of publication	15578
a	16.6 ± 0.002 Å
b	15.531 ± 0.002 Å
c	19.029 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4906 ± 1.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
230326 (current)	2019-11-17	cif/ Updating files of 7057621, 7057622, 7057623 Original log message: Adding full bibliography for 7057621--7057623.cif.	7057623.cif
209467	2018-08-08	cif/ Adding structures of 7057621, 7057622, 7057623 via cif-deposit CGI script.	7057623.cif