Crystallography Open Database

Information card for entry 7063340

Preview

Coordinates	7063340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H27 Cl0.08 Co F6 I0.92 N4 P
Calculated formula	C15 H27 Cl0.078 Co F6 I0.922 N4 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	15.4579 ± 0.0007 Å
b	15.4579 ± 0.0007 Å
c	17.5114 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4184.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.0545
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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.	7063340.cif
293318	2024-07-09	cif/ Adding structures of 7063336, 7063337, 7063338, 7063339, 7063340 via cif-deposit CGI script.	7063340.cif