Crystallography Open Database

Information card for entry 4345864

Preview

Coordinates	4345864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Co N8 O4
Calculated formula	C26 H22 Co N8 O4
SMILES	[Co]1234([n]5c(CO)cccc5C=[N]1N=C(O2)c1cnccc1)[n]1c(CO)cccc1C=[N]3N=C(O4)c1cccnc1
Title of publication	Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry.
Authors of publication	Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Zhang, Yiquan; Bodenstein, Tilmann; Fink, Karin; Powell, Annie K.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	11
Pages of publication	6056 - 6066
a	20.027 ± 0.003 Å
b	14.026 ± 0.0018 Å
c	8.9926 ± 0.0016 Å
α	90°
β	100.235 ± 0.014°
γ	90°
Cell volume	2485.8 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0858
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	0.846
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
198417 (current)	2017-07-05	cif/ Updating files of 4345864, 4345865 Original log message: Adding full bibliography for 4345864--4345865.cif.	4345864.cif
196586	2017-05-10	cif/ Adding structures of 4345864 via cif-deposit CGI script.	4345864.cif