Crystallography Open Database

Information card for entry 4114408

Preview

Coordinates	4114408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H28 Ag6 Fe3 N24 O2
Calculated formula	C48 H24 Ag6 Fe3 N24 O2
Title of publication	Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type
Authors of publication	Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14224 - 14225
a	15.29 ± 0.0009 Å
b	15.29 ± 0.0009 Å
c	6.905 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1398.01 ± 0.13 Å³
Cell temperature	145 ± 2 K
Ambient diffraction temperature	145 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
178915 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/44.	4114408.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114408.cif
67722	2012-10-02	cif/ Adding structures of 4114408 via cif-deposit CGI script.	4114408.cif