Crystallography Open Database

Information card for entry 1504398

Preview

Coordinates	1504398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 Cl3 Mn3 N3 O12 S
Calculated formula	C32 H27 Cl3 Mn3 N3 O12 S
Title of publication	Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface.
Authors of publication	Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K.
Journal of publication	The journal of physical chemistry. B
Year of publication	2008
Journal volume	112
Journal issue	32
Pages of publication	9729 - 9735
a	11.5076 ± 0.0008 Å
b	13.8717 ± 0.0009 Å
c	14.1965 ± 0.0009 Å
α	117.336 ± 0.003°
β	90.196 ± 0.003°
γ	109.517 ± 0.003°
Cell volume	1863.9 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for all reflections	0.0922
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	0.4354
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504398.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504398.cif
42011	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504398 via cif-deposit CGI script.	1504398.cif