Crystallography Open Database

Information card for entry 7234349

Preview

Coordinates	7234349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Br2 Co N4 O
Calculated formula	C21 H14 Br2 Co N4 O
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	8.5932 ± 0.0007 Å
b	10.7755 ± 0.0008 Å
c	21.7683 ± 0.0018 Å
α	90°
β	97.685 ± 0.013°
γ	90°
Cell volume	1997.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1322
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2324
Weighted residual factors for all reflections included in the refinement	0.263
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	7234349.cif