Crystallography Open Database

Information card for entry 7212592

Preview

Coordinates	7212592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 B2 F8 Fe N12
Calculated formula	C32 H24 B2 F8 Fe N12
Title of publication	Supramolecular lattice-solvent control of iron(ii) spin transition parameters
Authors of publication	Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	8
Pages of publication	2361
a	41.196 ± 0.008 Å
b	9.874 ± 0.002 Å
c	16.528 ± 0.003 Å
α	90°
β	104.03 ± 0.03°
γ	90°
Cell volume	6523 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0744
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180456 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/25.	7212592.cif
93134	2014-01-12	cif/ Adding structures of 7212591, 7212592, 7212593 via cif-deposit CGI script.	7212592.cif