Crystallography Open Database

Information card for entry 4340164

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Coordinates	4340164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H43 Cl Mn2 N6 O9
Calculated formula	C39 H42 Cl Mn2 N6 O9
Title of publication	Studies of a dinuclear manganese complex with phenoxo and bis-acetato bridging in the Mn2(II,II) and Mn2(II,III) states: Coordination structural shifts and oxidation state control in bridged dinuclear complexes.
Authors of publication	Gultneh, Yilma; Tesema, Yohannes T.; Yisgedu, Teshome B.; Butcher, Ray J.; Wang, Guangbin; Yee, Gordon T.
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	7
Pages of publication	3023 - 3033
a	16.0118 ± 0.0015 Å
b	15.5369 ± 0.0014 Å
c	17.9705 ± 0.0017 Å
α	90°
β	103.595 ± 0.002°
γ	90°
Cell volume	4345.3 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
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	0.0873
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179504 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/01.	4340164.cif
118655	2014-06-30	cif/ Adding structures of 4340164 via cif-deposit CGI script.	4340164.cif