Crystallography Open Database

Information card for entry 7111278

Preview

Coordinates	7111278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H88 Br12 Mn8 N24 O4
Calculated formula	C79.92 H87.84 Br12 Mn8 N24 O3.98
Title of publication	Syntheses and magnetic properties of hexanuclear [Cp2Mn3(L1)4]2 and octanuclear [Mn8(L2)12(μ4-O)2] (L1 = 2-HNC5H5N, L2 = 2-NH-3-Br-5-MeC5H3N, Cp = C5H5)
Authors of publication	Alvarez, Carmen Soria; Bond, Andrew D.; Cave, Dale; Mosquera, Marta E. G.; Harron, Eilís A.; Layfield, Richard A.; McPartlin, Mary; Rawson, Jeremy M.; Wood, Paul T.; Wright, Dominic S.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	24
Pages of publication	2980 - 2981
a	15.8023 ± 0.0011 Å
b	15.8023 ± 0.0011 Å
c	34.803 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7526.4 ± 0.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180226 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/12.	7111278.cif
132218	2015-02-21	cif/7/11/ (antanas@koala.ibt.lt) Updating bibliography for CIF 7111277, 7111278.	7111278.cif
96397	2014-01-29	cif/ Adding structures of 7111277, 7111278 via cif-deposit CGI script.	7111278.cif