Crystallography Open Database

Information card for entry 7023430

Preview

Coordinates	7023430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H52 Cl12 Mn8 N24 O16
Calculated formula	C60 H48 Cl12 Mn8 N24 O16
Title of publication	Manganese clusters derived from 2-pyridylcyanoxime: new topologies and a large spin ground state in pyridyloximate chemistry.
Authors of publication	Alcazar, Laura; Cordero, Beatriz; Esteban, Jordi; Tangoulis, Vassilis; Font-Bardia, Mercè; Calvet, Teresa; Escuer, Albert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	34
Pages of publication	12334 - 12345
a	25.055 ± 0.002 Å
b	15.5062 ± 0.0013 Å
c	21.1912 ± 0.0016 Å
α	90°
β	95.701 ± 0.005°
γ	90°
Cell volume	8192.2 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179939 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/34.	7023430.cif
90531	2013-11-18	cif/ Adding structures of 7023427, 7023428, 7023429, 7023430, 7023431, 7023432 via cif-deposit CGI script.	7023430.cif