Crystallography Open Database

Information card for entry 7052646

Preview

Coordinates	7052646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 K2 Mn5 Mo3 N22 O14
Calculated formula	C23 H3 K2 Mn5 Mo3 N22 O14
Title of publication	[K2Mn5{Mo(CN)7}3]: an open framework magnet with four Tc conversions orchestrated by guests and thermal history
Authors of publication	Milon, Julie; Guionneau, Philippe; Duhayon, Carine; Sutter, Jean-Pascal
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	6
Pages of publication	1211
a	7.5253 ± 0.0003 Å
b	34.2257 ± 0.0013 Å
c	19.5251 ± 0.0008 Å
α	90°
β	90.483 ± 0.003°
γ	90°
Cell volume	5028.7 ± 0.3 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	7
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	0.0626
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for all reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0347
Weighted residual factors for all reflections included in the refinement	0.0347
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052646.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052646.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052646.cif
23555	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052646 via cif-deposit CGI script.	7052646.cif