Crystallography Open Database

Information card for entry 4512247

Preview

Coordinates	4512247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Au2 Fe N8 S0.5
Calculated formula	C18 H8 Au2 Fe N8 S0.5
Title of publication	Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)
Authors of publication	Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6311
a	26.8078 ± 0.0012 Å
b	26.8078 ± 0.0012 Å
c	9.9406 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	6186.8 ± 0.5 Å³
Cell temperature	300 ± 1 K
Ambient diffraction temperature	300 ± 1 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.185
Weighted residual factors for all reflections included in the refinement	0.214
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4512247.cif
131326	2015-02-07	cif/ Updating files of 4512243, 4512244, 4512245, 4512246, 4512247, 4512248, 4512249, 4512250, 4512251, 4512252, 4512253, 4512254 Original log message: Adding full bibliography for 4512243--4512254.cif.	4512247.cif
126597	2014-11-07	cif/ Adding structures of 4512247 via cif-deposit CGI script.	4512247.cif