Crystallography Open Database

Information card for entry 7000227

Preview

Coordinates	7000227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H124 Cr2 Mn6 N24 O32
Calculated formula	C120 H120 Cr2 Mn6 N24 O32
Title of publication	Unprecedented coexistence of cyano-bridged Mn4IIICrIII and Mn2IIICrIII heterobimetallic complexes in one single crystal
Authors of publication	Visinescu, Diana; Toma, Luminita Marilena; Lloret, Francesc; Fabelo, Oscar; Ruiz-Pérez, Catalina; Julve, Miguel
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	1
Pages of publication	37 - 40
a	14.9103 ± 0.0011 Å
b	15.1115 ± 0.0007 Å
c	15.2046 ± 0.0013 Å
α	98.469 ± 0.006°
β	91.732 ± 0.009°
γ	102.871 ± 0.005°
Cell volume	3296.3 ± 0.4 Å³
Cell temperature	293 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1115
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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
179680 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/02.	7000227.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000227.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000227.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000227.cif