Crystallography Open Database

Information card for entry 7015609

Preview

Coordinates	7015609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H54 Cl2 Cu6 Fe8 N10 O24
Calculated formula	C55 H52 Cl2 Cu6 Fe8 N10 O24
Title of publication	Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays.
Authors of publication	Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	20
Pages of publication	5464 - 5475
a	13.9712 ± 0.0008 Å
b	26.587 ± 0.0015 Å
c	20.2166 ± 0.0011 Å
α	90°
β	94.27 ± 0.001°
γ	90°
Cell volume	7488.7 ± 0.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Goodness-of-fit parameter for all reflections	0.978
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179860 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56.	7015609.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015609.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015609.cif
21202	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015605, 7015606, 7015607, 7015608, 7015609 via cif-deposit CGI script.	7015609.cif