Crystallography Open Database

Information card for entry 7111914

7111913 << 7111914 >> 7111915

Preview

Coordinates	7111914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H24 Fe N6 Pt
Calculated formula	C38 H24 Fe N6 Pt
Title of publication	Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity
Authors of publication	Lucia Pineiro-Lopez; Maksym Seredyuk; M. Carmen Munoz; Jose A. Real
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1833
a	7.2452 ± 0.0002 Å
b	13.9706 ± 0.0005 Å
c	16.3779 ± 0.0007 Å
α	73.531 ± 0.003°
β	83.678 ± 0.003°
γ	89.998 ± 0.003°
Cell volume	1579.24 ± 0.1 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180233 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/19.	7111914.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111914.cif
103146	2014-02-25	cif/ Adding structures of 7111914, 7111915, 7111916, 7111917, 7111918 via cif-deposit CGI script.	7111914.cif