Crystallography Open Database

Information card for entry 4329201

Preview

Coordinates	4329201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 Mn N11 Re S6
Calculated formula	C36 H24 Mn N11 Re S6
Title of publication	New Family of Thiocyanate-Bridged Re(IV)-SCN-M(II) (M = Ni, Co, Fe, and Mn) Heterobimetallic Compounds: Synthesis, Crystal Structure, and Magnetic Properties
Authors of publication	Ricardo González; Alvaro Acosta; Raúl Chiozzone; Carlos Kremer; Donatella Armentano; Giovanni De Munno; Miguel Julve; Francesc Lloret; Juan Faus
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5737 - 5747
a	23.14 ± 0.004 Å
b	12.069 ± 0.003 Å
c	32.482 ± 0.007 Å
α	90°
β	106.206 ± 0.015°
γ	90°
Cell volume	8711 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.172
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	0.818
Diffraction radiation wavelength	0.71073 Å
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.	4329201.cif
78241	2013-04-01	cif/ Adding structures of 4329201 via cif-deposit CGI script.	4329201.cif