Crystallography Open Database

Information card for entry 7219218

7219217 << 7219218 >> 7219219

Preview

Coordinates	7219218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.64 H62 Dy4 Fe2 N10 O35.36
Calculated formula	C39.64 H54.04 Dy4 Fe2 N10 O35.36
Title of publication	Squashed {FeIII2MIII4} octahedra (M = Y, Gd, Dy) from the first use of the cyanoacetate ligand in 3d/4f coordination chemistry
Authors of publication	Powell, Annie K.; Polyzou, Christina D.; Baniodeh, Amer; Magnani, Nicola; Mereacre, Valeriu; Zill, Nicolas; Anson, Christopher; Perlepes, Spyros P.
Journal of publication	RSC Adv.
Year of publication	2015
a	10.226 ± 0.002 Å
b	12.25 ± 0.003 Å
c	13.744 ± 0.003 Å
α	102.5 ± 0.003°
β	97.563 ± 0.003°
γ	104.646 ± 0.003°
Cell volume	1594.3 ± 0.6 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	0.0275
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180523 (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 7/21/92.	7219218.cif
129421	2015-01-07	cif/ Adding structures of 7219218 via cif-deposit CGI script.	7219218.cif