Crystallography Open Database

Information card for entry 7063339

Preview

Coordinates	7063339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 Co F6 N4 P
Calculated formula	C15.9997 H29.9992 Co F6 N4.00005 P
Title of publication	Trans influence of cyanide on the structural and electronic properties of a series of organocobaltIII(TIM) complexes
Authors of publication	Rodriguez Segura, Leobardo; Ren, Tong
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	29
Pages of publication	13030 - 13037
a	18.7533 ± 0.0011 Å
b	18.7533 ± 0.0011 Å
c	20.1833 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	6147.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
293885 (current)	2024-08-05	cif/ Updating files of 7063336, 7063337, 7063338, 7063339, 7063340 Original log message: Adding full bibliography for 7063336--7063340.cif.	7063339.cif
293318	2024-07-09	cif/ Adding structures of 7063336, 7063337, 7063338, 7063339, 7063340 via cif-deposit CGI script.	7063339.cif