Crystallography Open Database

Information card for entry 7241790

Preview

Coordinates	7241790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 Co N4 O5
Calculated formula	C21 H26 Co N4 O5
SMILES	[Co]12(Oc3c(cccc3C3NCC[N]1=3)OC)Oc1c(cccc1C1NCC[N]2=1)OC.OC
Title of publication	Zero-field slow relaxation of magnetization in cobalt(ii) single-ion magnets: suppression of quantum tunneling of magnetization by tailoring the intermolecular magnetic coupling
Authors of publication	Mitsuhashi, Ryoji; Hosoya, Satoshi; Suzuki, Takayoshi; Sunatsuki, Yukinari; Sakiyama, Hiroshi; Mikuriya, Masahiro
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	71
Pages of publication	43472 - 43479
a	14.6617 ± 0.0018 Å
b	19.303 ± 0.003 Å
c	7.5546 ± 0.0009 Å
α	90°
β	104.276 ± 0.003°
γ	90°
Cell volume	2072 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.1542
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	0.911
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
259810 (current)	2020-12-11	cif/ Adding structures of 7241790 via cif-deposit CGI script.	7241790.cif