Crystallography Open Database

Information card for entry 7207278

7207277 << 7207278 >> 7207279

Preview

Coordinates	7207278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83.7 H100.8 Mn9 N9 O42.2
Calculated formula	C79.7 H83.8 Mn9 N9 O37.2
Title of publication	Two-dimensional frameworks built from Single-Molecule Magnets
Authors of publication	Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	4
Pages of publication	1216
a	14.7534 ± 0.0004 Å
b	16.3686 ± 0.0004 Å
c	22.2983 ± 0.0006 Å
α	101.659 ± 0.002°
β	101.396 ± 0.002°
γ	96.649 ± 0.002°
Cell volume	5101.3 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.116
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for all reflections	0.016
Weighted residual factors for significantly intense reflections	0.0128
Weighted residual factors for all reflections included in the refinement	0.0128
Goodness-of-fit parameter for all reflections included in the refinement	0.8617
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7207278.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207278.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207278.cif
32530	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7207277, 7207278 via cif-deposit CGI script.	7207278.cif