Crystallography Open Database

Information card for entry 7052674

Preview

Coordinates	7052674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H45 Cr3 N O18 S
Calculated formula	C45.637 H43.936 Cr3 N O17.694 S
Title of publication	Oxo-centered carboxylate-bridged trinuclear complexes deposited on Au(111) by a mass-selective electrospray
Authors of publication	Corradini, Valdis; Cervetti, Christian; Ghirri, Alberto; Biagi, Roberto; del Pennino, Umberto; Timco, Grigore A.; Winpenny, Richard E. P.; Affronte, Marco
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	8
Pages of publication	1683
a	11.276 ± 0.0014 Å
b	21.607 ± 0.003 Å
c	21.504 ± 0.003 Å
α	90°
β	93.406 ± 0.001°
γ	90°
Cell volume	5230 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1566
Residual factor for significantly intense reflections	0.1287
Weighted residual factors for significantly intense reflections	0.2788
Weighted residual factors for all reflections included in the refinement	0.2899
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.671 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052674.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052674.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052674.cif
23723	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052674 via cif-deposit CGI script.	7052674.cif