Crystallography Open Database

Information card for entry 7118229

Preview

Coordinates	7118229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Co N5 O4
Calculated formula	C23 H21 Co N5 O4
SMILES	C1(=[N]2N=C(c3ccccc3)O[Co]342([n]2c1cccc2C(=[N]3N=C(c1ccccc1)O4)C)([OH2])[OH2])C
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	26.039 ± 0.0011 Å
b	11.4044 ± 0.0005 Å
c	7.3288 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2176.35 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.209
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.	7118229.cif
171860	2016-01-01	cif/ Adding structures of 7118228, 7118229 via cif-deposit CGI script.	7118229.cif