Crystallography Open Database

Information card for entry 1567589

Preview

Coordinates	1567589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 N4
Calculated formula	C33 H24 N4
SMILES	n1c(cc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1c1cccnc1)c1cccnc1
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	34.855 ± 0.005 Å
b	8.6116 ± 0.0008 Å
c	30.178 ± 0.005 Å
α	90°
β	146.585 ± 0.007°
γ	90°
Cell volume	4988.3 ± 1.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1376
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.2194
Weighted residual factors for all reflections included in the refinement	0.2699
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277688 (current)	2022-09-06	cif/ Adding structures of 1567589 via cif-deposit CGI script.	1567589.cif