Crystallography Open Database

Information card for entry 4338992

Preview

Coordinates	4338992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 Co N12 O0
Calculated formula	C18 H25 Co N12
SMILES	[Co]12(N=N#N)(N=N#N)([NH](Cc3ccccc3)CC[NH]1CC[NH]2Cc1ccccc1)N=N#N
Title of publication	Uncommon ferromagnetic interactions in a homometallic Co(II) chain bridged by a single end-to-end azide.
Authors of publication	Yoo, Houng Sik; Kim, Jae Il; Yang, Namgeun; Koh, Eui Kwan; Park, Je-Geun; Hong, Chang Seop
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9054 - 9056
a	12.4579 ± 0.0003 Å
b	15.1725 ± 0.0003 Å
c	13.0991 ± 0.0003 Å
α	90°
β	116.425 ± 0.001°
γ	90°
Cell volume	2217.27 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179492 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89.	4338992.cif
117050	2014-06-14	cif/ Adding structures of 4338992 via cif-deposit CGI script.	4338992.cif