Crystallography Open Database

Information card for entry 1566022

Preview

Coordinates	1566022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl2 Co N4 O2
Calculated formula	C20 H24 Cl2 Co N4 O2
SMILES	[Co](Cl)(Cl)(Oc1ccccc1C1=[NH+]CCCN1)Oc1ccccc1C1=[NH+]CCCN1
Title of publication	Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors
Authors of publication	Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro
Journal of publication	Inorganica Chimica Acta
Year of publication	2022
Journal volume	529
Pages of publication	120667
a	13.7553 ± 0.0018 Å
b	9.6308 ± 0.0012 Å
c	16.501 ± 0.002 Å
α	90°
β	106.159 ± 0.002°
γ	90°
Cell volume	2099.6 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 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	0.0567
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272102 (current)	2022-01-18	cif/ Adding structures of 1566021, 1566022, 1566023 via cif-deposit CGI script.	1566022.cif