Crystallography Open Database

Information card for entry 4326685

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Coordinates	4326685.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NdFeDMF Ground State (APS)
Formula	C18 H36 Fe N10 Nd O8
Calculated formula	C18 H36 Fe N10 Nd O8
SMILES	[Nd]([N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([OH2])([OH2])[OH2].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	17.5855 ± 0.0004 Å
b	8.816 ± 0.0002 Å
c	19.4029 ± 0.0005 Å
α	90°
β	96.2406 ± 0.0015°
γ	90°
Cell volume	2990.28 ± 0.12 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.331
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.	4326685.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326685.cif
49459	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326685 via cif-deposit CGI script.	4326685.cif