Crystallography Open Database

Information card for entry 4326687

Preview

Coordinates	4326687.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	YFeDMF Ground State (APS)
Formula	C18 H36 Fe N10 O8 Y
Calculated formula	C18 H36 Fe N10 O8 Y
SMILES	[Fe](C#N)(C#N)(C#N)(C#N)(C#N)C#[N][Y]([OH2])([OH2])([OH2])([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.O
Title of publication	Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction
Authors of publication	Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10974 - 10984
a	13.825 ± 0.0005 Å
b	8.8075 ± 0.0003 Å
c	24.4849 ± 0.0008 Å
α	90°
β	96.643 ± 0.002°
γ	90°
Cell volume	2961.36 ± 0.18 Å³
Cell temperature	15 ± 2 K
Ambient diffraction temperature	15 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.636
Diffraction radiation wavelength	0.41328 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179369 (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 4/32/66.	4326687.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326687.cif
49461	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326687 via cif-deposit CGI script.	4326687.cif