Crystallography Open Database

Information card for entry 4309451

Preview

Coordinates	4309451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H72 Fe Mn3 N12 O13
Calculated formula	C62 H63 Fe Mn3 N12 O13
Title of publication	Cyano-Bridged MnIII3MIII (MIII= Fe, Cr) Complexes: Synthesis, Structure, and Magnetic Properties
Authors of publication	Hitoshi Miyasaka; Hitomi Takahashi; Tomokura Madanbashi; Ken-ichi Sugiura; Rodolphe Clérac; Hiroyuki Nojiri
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5969 - 5971
a	15.772 ± 0.002 Å
b	14.454 ± 0.002 Å
c	29.129 ± 0.004 Å
α	90°
β	104.24 ± 0.002°
γ	90°
Cell volume	6436.5 ± 1.5 Å³
Cell temperature	93.1 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 significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309451.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309451.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309451.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309451.cif