Crystallography Open Database

Information card for entry 4314874

Preview

Coordinates	4314874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Mn2 Mo N11 O2
Calculated formula	C15 H12 Mn2 Mo N11 O2
Title of publication	Vanadium(II) Heptacyanomolybdate(III)-Based Magnet Exhibiting a High Curie Temperature of 110 K
Authors of publication	Keisuke Tomono; Yoshihide Tsunobuchi; Koji Nakabayashi; Shin-ichi Ohkoshi
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1298 - 1300
a	7.20778 ± 0.00013 Å
b	15.7128 ± 0.0003 Å
c	18.1688 ± 0.0003 Å
α	90°
β	95.0877 ± 0.0007°
γ	90°
Cell volume	2049.59 ± 0.06 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0196
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71075 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.	4314874.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314874.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314874.cif
8017	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314874 via cif-deposit CGI script.	4314874.cif