Crystallography Open Database

Information card for entry 4327168

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Structure parameters

Formula	C25 H47 Mn3 N5 O11
Calculated formula	C25 H47 Mn3 N5 O11
Title of publication	New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10
Authors of publication	Arpita Saha; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	12774 - 12784
a	23.5084 ± 0.0017 Å
b	14.4661 ± 0.0011 Å
c	20.257 ± 0.0015 Å
α	90°
β	104.264 ± 0.005°
γ	90°
Cell volume	6676.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1152
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	0.822
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4327168.cif
179374	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/71.	4327168.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4327168.cif
49947	2012-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4327168 via cif-deposit CGI script.	4327168.cif