Crystallography Open Database

Information card for entry 8102675

Preview

Coordinates	8102675.cif

Structure parameters

Chemical name	Aquaacetato[N,N'-bis(3-ethoxysalicylidene)cyclohexane-1,2-diiminato] manganese(III) - acetonitrile (1:2)
Formula	C30 H39 Mn N4 O7
Calculated formula	C30 H39 Mn N4 O7
Title of publication	Crystal structure of aquaacetato[N,N'-bis(3-ethoxysalicylidene)cyclohexane-1,2-diiminato]manganese(III) — acetonitrile (1:2), Mn(H2O)(CH3CO2)(C24H28N2O4) · 2CH3CN
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	285
a	14.8397 ± 0.0008 Å
b	13.5844 ± 0.0007 Å
c	15.2747 ± 0.0008 Å
α	90°
β	92.226 ± 0.001°
γ	90°
Cell volume	3076.9 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.137
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1715
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102675.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102675.cif
13414	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102675 via cif-deposit CGI script.	8102675.cif