Crystallography Open Database

Information card for entry 4329198

Preview

Coordinates	4329198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 N11 Ni Re S6
Calculated formula	C36 H24 N11 Ni 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	23.261 ± 0.005 Å
b	12.169 ± 0.002 Å
c	31.791 ± 0.006 Å
α	90°
β	107.36 ± 0.03°
γ	90°
Cell volume	8589 ± 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	0.0895
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329198.cif
78238	2013-04-01	cif/ Adding structures of 4329198 via cif-deposit CGI script.	4329198.cif