Crystallography Open Database

Information card for entry 1567588

Preview

Coordinates	1567588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.8 H48.8 Cl2.4 Co N10 S2
Calculated formula	C52.8 H48.8 Cl2.4 Co N10 S2
Title of publication	To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate
Authors of publication	Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
Journal of publication	Crystals
Year of publication	2022
Journal volume	12
Journal issue	8
Pages of publication	1136
a	13.3183 ± 0.0003 Å
b	12.5045 ± 0.0002 Å
c	15.2418 ± 0.0004 Å
α	90°
β	96.533 ± 0.002°
γ	90°
Cell volume	2521.87 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1069
Residual factor for significantly intense reflections	0.103
Weighted residual factors for significantly intense reflections	0.2365
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
277687 (current)	2022-09-06	cif/ Adding structures of 1567588 via cif-deposit CGI script.	1567588.cif