Crystallography Open Database

Information card for entry 7023431

Preview

Coordinates	7023431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H81 Mn10 N25 O30
Calculated formula	C104 H62 Mn10 N25 O30
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	14.6596 ± 0.0003 Å
b	15.8014 ± 0.0003 Å
c	16.1286 ± 0.0005 Å
α	106.315 ± 0.001°
β	115.911 ± 0.001°
γ	104.133 ± 0.001°
Cell volume	2919.33 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	1003 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7023431.cif
90531	2013-11-18	cif/ Adding structures of 7023427, 7023428, 7023429, 7023430, 7023431, 7023432 via cif-deposit CGI script.	7023431.cif