Crystallography Open Database

Information card for entry 7212596

Preview

Coordinates	7212596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H74 Fe4 Gd2 N30 O23
Calculated formula	C72 H38 Fe4 Gd2 N30 O23
Title of publication	[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)
Authors of publication	Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	8
Pages of publication	2454
a	10.1241 ± 0.0006 Å
b	14.9965 ± 0.0012 Å
c	16.4861 ± 0.001 Å
α	94.712 ± 0.007°
β	104.484 ± 0.005°
γ	92.13 ± 0.005°
Cell volume	2411 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7212596.cif
93143	2014-01-12	cif/ Adding structures of 7212595, 7212596, 7212597, 7212598 via cif-deposit CGI script.	7212596.cif