Crystallography Open Database

Information card for entry 4339348

Preview

Coordinates	4339348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H29 Fe Mn N9 O5
Calculated formula	C34 H25 Fe Mn N9 O5
SMILES	[Fe]12(C#N)(C#N)(C#[N][Mn]345(Oc6ccccc6C=[N]3CC[N]4=Cc3ccccc3O5)[OH2])[n]3cccc4cccc(c34)N1C(=O)c1cnc(C)c[n]21.O
Title of publication	Field-induced metamagnetic transition in the Fe(III)-Mn(III) bimetallic chain built by a new cyanide-bearing Fe(III) precursor.
Authors of publication	Kim, Jae Il; Yoo, Houng Sik; Koh, Eui Kwan; Hong, Chang Seop
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	25
Pages of publication	10461 - 10463
a	10.7664 ± 0.0011 Å
b	23.771 ± 0.002 Å
c	13.8319 ± 0.0015 Å
α	90°
β	110.576 ± 0.006°
γ	90°
Cell volume	3314.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
179496 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/93.	4339348.cif
117278	2014-06-14	cif/ Adding structures of 4339348 via cif-deposit CGI script.	4339348.cif