Crystallography Open Database

Information card for entry 2232491

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Structure parameters

Chemical name	Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) μ-oxido-bis[trichloridoferrate(III)]
Formula	C18 H42 Cl6 Fe2 Mn N6 O7
Calculated formula	C18 H42 Cl6 Fe2 Mn N6 O7
SMILES	CN(C=[O][Mn]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)C.[Fe](Cl)(Cl)(Cl)O[Fe](Cl)(Cl)Cl
Title of publication	Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) μ-oxido-bis[trichloridoferrate(III)]
Authors of publication	Chygorin, Eduard N.; Petrusenko, Svitlana R.; Kokozay, Volodymyr N.; Smal, Yuri O.; Omelchenko, Irina V.; Shishkin, Oleg V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	11
Pages of publication	m1563 - m1564
a	14.0171 ± 0.0008 Å
b	14.0171 ± 0.0008 Å
c	15.3966 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	2619.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181246 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/24.	2232491.cif 2232491.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2232491.cif 2232491.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232491.cif 2232491.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2232491.cif 2232491.hkl
31968	2012-01-03	hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures.	2232491.cif 2232491.hkl
31162	2011-12-12	../uploads/cif-deposit/cod/cif Adding structures of 2232491 via cif-deposit CGI script.	2232491.cif