Crystallography Open Database

Information card for entry 4342496

Preview

Coordinates	4342496.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1
Formula	C17.5 H18 K Mn N2 O6
Calculated formula	C17.5 H18 K Mn N2 O6
Title of publication	Alkali-Metal-Ion-Directed Self-Assembly of Redox-Active Manganese(III) Supramolecular Boxes.
Authors of publication	González-Riopedre, Gustavo; Bermejo, Manuel R.; Fernández-García, M Isabel; González-Noya, Ana M; Pedrido, Rosa; Rodríguez-Doutón, M Jesús; Maneiro, Marcelino
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	6
Pages of publication	2512 - 2521
a	9.57 ± 0.006 Å
b	10.427 ± 0.006 Å
c	10.825 ± 0.006 Å
α	113.065 ± 0.007°
β	97.273 ± 0.008°
γ	100.41 ± 0.008°
Cell volume	953.9 ± 1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1307
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.2036
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4342496.cif
134764	2015-04-04	cif/ Updating files of 4342493, 4342494, 4342495, 4342496 Original log message: Adding full bibliography for 4342493--4342496.cif.	4342496.cif
132330	2015-02-24	cif/ Adding structures of 4342496 via cif-deposit CGI script.	4342496.cif