Crystallography Open Database

Information card for entry 7011894

Preview

Coordinates	7011894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H31.5 Co Cu2 N6.5 O3 S3
Calculated formula	C16 H31.5 Co Cu2 N6.5 O3 S3
Title of publication	Novel polynuclear CuII/CoII complexes constructed from one and two Cu2Co triangles with antiferromagnetic exchange coupling
Authors of publication	Makhankova, Valeriya G.; Vassilyeva, Olga Yu.; Kokozay, Volodymyr N.; Skelton, Brian W.; Sorace, Lorenzo; Gatteschi, Dante
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	22
Pages of publication	4253
a	14.036 ± 0.002 Å
b	20.009 ± 0.003 Å
c	10.097 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2835.7 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
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	0.065
Residual factor for significantly intense reflections	0.043
Weighted residual factors for all reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections	1.31
Goodness-of-fit parameter for all reflections included in the refinement	1.388
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7011894.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011894.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011894.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011894.cif