Crystallography Open Database

Information card for entry 4340165

Preview

Coordinates	4340165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H45 Cl4 Mn2 N6 O13
Calculated formula	C40 H45 Cl4 Mn2 N6 O13
SMILES	[Mn]12345[O]6[Mn]78([O]=C(O1)C)(OC(=[O]2)C)[N](Cc1c6c(cc(c1)C)C[N]3(CCc1[n]4cccc1)Cc1[n]5cccc1)(CCc1[n]7cccc1)Cc1[n]8cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl
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	11.16 ± 0.03 Å
b	14.2 ± 0.05 Å
c	16.46 ± 0.06 Å
α	106.08 ± 0.08°
β	96.19 ± 0.08°
γ	95.71 ± 0.08°
Cell volume	2469 ± 14 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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
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.	4340165.cif
118656	2014-06-30	cif/ Adding structures of 4340165 via cif-deposit CGI script.	4340165.cif