Crystallography Open Database

Information card for entry 2023084

2023083 << 2023084 >> 2023085

Preview

Coordinates	2023084.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(1<i>H</i>-Imidazole){tris[(1-benzyltriazol-4-yl-κ<i>N</i>^3^)methyl]amine-κ<i>N</i>}cobalt(II) bis(tetrafluoroborate)
Formula	C33 H34 B2 Co F8 N12
Calculated formula	C33 H34 B2 Co F8 N12
Title of publication	Structure of the five-coordinate CoII complex (1H-imidazole){tris[(1-benzyltriazol-4-yl-κN 3)methyl]amine-κN}cobalt(II) bis(tetrafluoroborate)
Authors of publication	Batra, Vipul; Reed, Garrett C.; Tierney, David L.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	5
a	10.6861 ± 0.0004 Å
b	13.0639 ± 0.0005 Å
c	15.7006 ± 0.0006 Å
α	96.304 ± 0.002°
β	107.142 ± 0.002°
γ	110.766 ± 0.002°
Cell volume	1901.24 ± 0.13 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
291288 (current)	2024-04-19	cif/ Adding structures of 2023084 via cif-deposit CGI script.	2023084.cif