Crystallography Open Database

Information card for entry 1566021

Preview

Coordinates	1566021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Br2 Co N4 O2
Calculated formula	C20 H24 Br2 Co N4 O2
SMILES	c1(ccccc1C1=[NH+]CCCN1)O[Co](Br)(Oc1ccccc1C1=[NH+]CCCN1)Br
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	14.659 ± 0.002 Å
b	9.0379 ± 0.0015 Å
c	8.452 ± 0.0014 Å
α	90°
β	112.93 ± 0.002°
γ	90°
Cell volume	1031.3 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
272102 (current)	2022-01-18	cif/ Adding structures of 1566021, 1566022, 1566023 via cif-deposit CGI script.	1566021.cif