Crystallography Open Database

Information card for entry 4313281

Preview

Coordinates	4313281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Mn2 Mo N8 O3
Calculated formula	C13 H12 Mn2 Mo N8 O3
Title of publication	Substantial Increase of the Ordering Temperature for {MnII/MoIII(CN)7}- Based Magnets as a Function of the 3d Ion Site Geometry: Example of Two Supramolecular Materials with Tc= 75 and 106 K
Authors of publication	Stéfania Tanase; Floriana Tuna; Philippe Guionneau; Thierry Maris; Guillaume Rombaut; Corine Mathonière; Marius Andruh; ) Olivier Kahn; Jean-Pascal Sutter
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1625 - 1631
a	12.699 ± 0.004 Å
b	12.1344 ± 0.0016 Å
c	12.639 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1947.6 ± 0.8 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179188 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/32.	4313281.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313281.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313281.cif
11788	2011-02-22	cif/4/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script.	4313281.cif
6350	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313281 via cif-deposit CGI script.	4313281.cif