Crystallography Open Database

Information card for entry 7216218

Preview

Coordinates	7216218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H80 Fe10 N6 O34
Calculated formula	C42 H78 Fe10 N6 O34
Title of publication	Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand
Authors of publication	Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	24
Pages of publication	5212
a	37.09 ± 0.02 Å
b	11.39 ± 0.007 Å
c	29.307 ± 0.016 Å
α	90°
β	90.01 ± 0.001°
γ	90°
Cell volume	12381 ± 12 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	386 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1286
Residual factor for significantly intense reflections	0.0991
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.2036
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180493 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/62.	7216218.cif
114946	2014-05-31	cif/ Adding structures of 7216217, 7216218, 7216219 via cif-deposit CGI script.	7216218.cif