Crystallography Open Database

Information card for entry 7707186

Preview

Coordinates	7707186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Cl2 Co N4
Calculated formula	C22 H14 Cl2 Co N4
Title of publication	Hydrogen bond-induced abrupt spin crossover behaviour in 1-D cobalt(II) complexes - the key role of solvate water molecules.
Authors of publication	Zenno, Hikaru; Kobayashi, Fumiya; Nakamura, Masaaki; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	22
Pages of publication	7843 - 7853
a	8.6789 ± 0.0005 Å
b	13.8285 ± 0.0005 Å
c	10.2562 ± 0.0006 Å
α	90°
β	113.332 ± 0.007°
γ	90°
Cell volume	1130.25 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.0453
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
267163 (current)	2021-07-05	cif/ Updating files of 7707184, 7707185, 7707186, 7707187 Original log message: Adding full bibliography for 7707184--7707187.cif.	7707186.cif
264439	2021-04-23	cif/ Adding structures of 7707184, 7707185, 7707186, 7707187 via cif-deposit CGI script.	7707186.cif