Crystallography Open Database

Information card for entry 4509169

Preview

Coordinates	4509169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 Cl Mn3 N6 O14
Calculated formula	C39 H30 Cl Mn3 N6 O11
Title of publication	Supramolecular Entanglement from Interlocked Molecular Nanomagnets
Authors of publication	Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	1
Pages of publication	24
a	15.6887 ± 0.0003 Å
b	15.6887 ± 0.0003 Å
c	22.2702 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	4747.1 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.1095
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for all reflections	0.1807
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1807
Goodness-of-fit parameter for all reflections included in the refinement	0.7718
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
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.	4509169.cif
97154	2014-01-29	cif/ Adding structures of 4509168, 4509169, 4509170 via cif-deposit CGI script.	4509169.cif