Crystallography Open Database

Information card for entry 4114848

Preview

Coordinates	4114848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Mn N6 O10
Calculated formula	C24 H24 Mn N6 O10
SMILES	[OH2][Mn]([n]1ccc(cc1)NC(=O)c1ccccc1)([n]1ccc(cc1)NC(=O)c1ccccc1)([OH2])(ON(=O)=O)ON(=O)=O
Title of publication	Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit
Authors of publication	Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	6613 - 6625
a	7.4848 ± 0.0002 Å
b	9.1264 ± 0.0003 Å
c	10.0961 ± 0.0003 Å
α	75.442 ± 0.0016°
β	73.0274 ± 0.0014°
γ	82.5842 ± 0.0012°
Cell volume	637.28 ± 0.03 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 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	0.0446
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178919 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/48.	4114848.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114848.cif
68212	2012-10-19	cif/ Adding structures of 4114848 via cif-deposit CGI script.	4114848.cif