Crystallography Open Database

Information card for entry 7118228

Preview

Coordinates	7118228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Co N7 O5 S2
Calculated formula	C25 H21 Co N7 O5 S2
SMILES	O.O.O.c12cccc3C(C)=[N]4NC(c5ccccc5)=[O][Co]54([n]23)([N](=C1C)NC(=[O]5)c1ccccc1)(N=C=S)N=C=S
Title of publication	Modulation of the coordination environment: a convenient approach to tailor magnetic anisotropy in seven coordinate Co(II) complexes
Authors of publication	Dey, Mamon; Dutta, Snigdha; Sarma, Bipul; Deka, Ramesh Ch.; Gogoi, Nayanmoni
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2016
Journal volume	52
Journal issue	4
Pages of publication	753 - 756
a	10.692 ± 0.002 Å
b	11.464 ± 0.002 Å
c	24.031 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2945.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
209787 (current)	2018-08-16	cif/7/11/ Updating bibliography in entries 7118228-7118229, 7118467-7118468. Marking entries 7118467-7118468 as duplicates of entries 7118228-7118229.	7118228.cif
171860	2016-01-01	cif/ Adding structures of 7118228, 7118229 via cif-deposit CGI script.	7118228.cif