Crystallography Open Database

Information card for entry 1512736

Preview

Coordinates	1512736.cif

Structure parameters

Formula	C60 H268 Cl11 Fe15 N24 O175 P24
Calculated formula	C60 H60 Cl11 Fe15 N24 O175 P24
Title of publication	Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)Cl7(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
Authors of publication	Eleonora Freire; Mariano Quintero; Daniel Vega; Ricardo Baggio
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	229 - 236
a	15.212 ± 0.002 Å
b	19.277 ± 0.003 Å
c	22.876 ± 0.003 Å
α	65.252 ± 0.002°
β	70.935 ± 0.002°
γ	81.401 ± 0.002°
Cell volume	5757.3 ± 1.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 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	0.1307
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1793
Weighted residual factors for all reflections included in the refinement	0.2026
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512736.cif
90811	2013-11-18	cif/ Adding structures of 1512736 via cif-deposit CGI script.	1512736.cif