Crystallography Open Database

Information card for entry 4338991

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Structure parameters

Formula	C22 H33 Co N12 O2
Calculated formula	C22 H33 Co N12 O2
SMILES	[Co]12([NH](CC[NH]1CC[NH]2Cc1ccc(cc1)OCC)Cc1ccc(cc1)OCC)(N=N#N)(N=N#N)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	13.3729 ± 0.0003 Å
b	14.8031 ± 0.0003 Å
c	29.4844 ± 0.0007 Å
α	90°
β	95.08 ± 0.001°
γ	90°
Cell volume	5813.8 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.1801
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4338991.cif
179492	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.	4338991.cif
117049	2014-06-14	cif/ Adding structures of 4338991 via cif-deposit CGI script.	4338991.cif