Crystallography Open Database

Information card for entry 4509170

Preview

Coordinates	4509170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H94 Mn6 N10 O20
Calculated formula	C96 H94 Mn6 N10 O20
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	13.4841 ± 0.0004 Å
b	18.4592 ± 0.0005 Å
c	19.6489 ± 0.0006 Å
α	90°
β	104.358 ± 0.002°
γ	90°
Cell volume	4738 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.1119
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for all reflections	0.1737
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	0.9928
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
179627 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/91.	4509170.cif
97154	2014-01-29	cif/ Adding structures of 4509168, 4509169, 4509170 via cif-deposit CGI script.	4509170.cif