Crystallography Open Database

Information card for entry 7025408

Preview

Coordinates	7025408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H58 Cl4 Cu2 Mn4 N12 O30
Calculated formula	C64 H58 Cl4 Cu2 Mn4 N12 O30
Title of publication	Two-dimensional assembly of [MnIII2MnII2] single-molecule magnets and [Cu(pic)2] linking units (Hpic = picolinic acid)
Authors of publication	Jeon, Ie-Rang; Ababei, Rodica; Lecren, Lollita; Li, Yang-Guang; Wernsdorfer, Wolfgang; Roubeau, Olivier; Mathonière, Corine; Clérac, Rodolphe
Journal of publication	Dalton Transactions
Year of publication	2010
Journal volume	39
Journal issue	20
Pages of publication	4744
a	11.968 ± 0.002 Å
b	12.369 ± 0.003 Å
c	14.349 ± 0.003 Å
α	97.2 ± 0.03°
β	112.67 ± 0.03°
γ	101.36 ± 0.03°
Cell volume	1873.5 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
179960 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/54.	7025408.cif
93028	2014-01-12	cif/ Adding structures of 7025408 via cif-deposit CGI script.	7025408.cif