Crystallography Open Database

Information card for entry 4303460

Preview

Coordinates	4303460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H148 Cl2 Cr Mn3 N12 O23
Calculated formula	C90 H139.5 Cl2 Cr Mn3 N12 O23
Title of publication	Synthesis, Structure, and Magnetic Characterization of aC3-Symmetric MnIII3CrIII Assembly: Molecular Recognition Between a Trinuclear MnIII Triplesalen Complex and a fac-Triscyano CrIII Complex
Authors of publication	Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Marty W. DeGroot; Jeffrey R. Long; Thorsten Glaser
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	10165 - 10176
a	15.6351 ± 0.0006 Å
b	17.3305 ± 0.0007 Å
c	21.2534 ± 0.0008 Å
α	80.189 ± 0.001°
β	72.909 ± 0.001°
γ	89.786 ± 0.001°
Cell volume	5417.5 ± 0.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.0617
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
179072 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/34.	4303460.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303460.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303460.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303460.cif