Crystallography Open Database

Information card for entry 7001084

Preview

Coordinates	7001084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H48 Fe4 N16 O10
Calculated formula	C22 H48 Fe4 N16 O10
SMILES	C1[O]2[Fe]3456OCCN7CC[N]3(C1)CC[O]14[Fe]3489%10[N]%11(CC[N]3(CC[O]9[Fe]2(N=N#N)(N=N#N)([OH]C)[O]58CC%11)CCO%10)CC[O]4[Fe]1(N=N#N)(N=N#N)([O]6CC7)[OH]C
Title of publication	High-spin tetranuclear MnII2MnIV2 clusters with unique Mn(ii)‒Mn(iv) magnetic exchange: synthesis, structures and magnetism
Authors of publication	Zhou, Ai-Ju; Liu, Jun-Liang; Herchel, Radovan; Leng, Ji-Dong; Tong, Ming-Liang
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	17
Pages of publication	3182 - 3192
a	11.971 ± 0.001 Å
b	10.8998 ± 0.0009 Å
c	14.0946 ± 0.0012 Å
α	90°
β	103.734 ± 0.001°
γ	90°
Cell volume	1786.5 ± 0.3 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	0.049
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179688 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/10.	7001084.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001084.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001084.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001084.cif