Crystallography Open Database

Information card for entry 7028551

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Coordinates	7028551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Fe2 O2
Calculated formula	C28 H26 Fe2 O2
SMILES	[Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1c(cc(OC)c(OC)c1)[c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Construction of di- and tetra-ferrocenyl spiroborate complexes from catechol building blocks and their redox behaviors.
Authors of publication	Tahara, Keishiro; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-ichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	1368 - 1379
a	15.1307 ± 0.0003 Å
b	7.41141 ± 0.00013 Å
c	20.2153 ± 0.0004 Å
α	90°
β	100.843 ± 0.0007°
γ	90°
Cell volume	2226.47 ± 0.07 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.193
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179991 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/85.	7028551.cif
105361	2014-03-12	cif/ Adding structures of 7028551 via cif-deposit CGI script.	7028551.cif