Crystallography Open Database

Information card for entry 7234348

Preview

Coordinates	7234348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cl2 Co N4 O2
Calculated formula	C20 H10 Cl2 Co N4 O2
Title of publication	The impact of halogen ions on the guest dependent spin crossover behaviour and porosity of Co(ii) one-dimensional coordination polymers [CoX2(4'-(4-pyridyl)-2,2':6',2''-terpyridine)] (X = Cl and Br)
Authors of publication	Ryo Ohtani; Kodai Shimayama; Akio Mishima; Masaaki Ohba; Ryuta Ishikawa; Satoshi Kawata; Masaaki Nakamura; Leonard F. Lindoy; Shinya Hayami
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7865 - 7869
a	8.8298 ± 0.0006 Å
b	11.2957 ± 0.0008 Å
c	10.6572 ± 0.0007 Å
α	90°
β	112.828 ± 0.009°
γ	90°
Cell volume	979.68 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219067 (current)	2019-10-03	cif/ Adding structures of 7234348, 7234349 via cif-deposit CGI script.	7234348.cif