Crystallography Open Database

Information card for entry 7019866

7019865 << 7019866 >> 7019867

Preview

Coordinates	7019866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H90 B2 F8 Mn7 N4 O28
Calculated formula	C44 H89.97 B2 F8 Mn7 N4 O27.99
Title of publication	Unusual oxidation state distributions observed for two mixed-valence heptanuclear manganese disc-like clusters.
Authors of publication	Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	32
Pages of publication	9789 - 9796
a	15.67 ± 0.002 Å
b	15.67 ± 0.002 Å
c	37.62 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	8000 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
179902 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/98.	7019866.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019866.cif
64334	2012-08-12	cif/ Adding structures of 7019866, 7019867 via cif-deposit CGI script.	7019866.cif