Crystallography Open Database

Information card for entry 7019867

7019866 << 7019867 >> 7019868

Preview

Coordinates	7019867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H109.5 Cl3 F3 Mn7 N7.5 O25
Calculated formula	C65 H105.509 Cl3 F3 Mn7 N7.5 O25
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	13.7426 ± 0.0005 Å
b	17.0063 ± 0.0006 Å
c	21.7683 ± 0.0011 Å
α	109.096 ± 0.002°
β	91.689 ± 0.002°
γ	112.636 ± 0.002°
Cell volume	4366.2 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1316
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.2197
Weighted residual factors for all reflections included in the refinement	0.2696
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019867.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019867.cif
64334	2012-08-12	cif/ Adding structures of 7019866, 7019867 via cif-deposit CGI script.	7019867.cif