Crystallography Open Database

Information card for entry 7015608

Preview

Coordinates	7015608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H40 Cu3 Fe4 N2 O12 P S4
Calculated formula	C47 H40 Cu3 Fe4 N2 O12 P S4
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	20.3661 ± 0.001 Å
b	18.7116 ± 0.0009 Å
c	28.4567 ± 0.0014 Å
α	90°
β	95.72 ± 0.001°
γ	90°
Cell volume	10790.3 ± 0.9 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Goodness-of-fit parameter for all reflections	0.975
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	7015608.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015608.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015608.cif
21202	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015605, 7015606, 7015607, 7015608, 7015609 via cif-deposit CGI script.	7015608.cif