Crystallography Open Database

Information card for entry 7030977

Preview

Coordinates	7030977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 Mn N4 O6
Calculated formula	C42 H44 Mn N4 O6
SMILES	C(=O)(c1c(Nc2c(C)c(C)ccc2)cccc1)O[Mn]1([n]2c(c3cccc[n]13)cccc2)([OH]C)([OH]C)OC(=O)c1c(Nc2c(c(ccc2)C)C)cccc1
Title of publication	Manganese-mefenamic acid complexes exhibit high lipoxygenase inhibitory activity.
Authors of publication	Feng, Jie; Du, Xin; Liu, Hui; Sui, Xin; Zhang, Chen; Tang, Yun; Zhang, Jingyan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	28
Pages of publication	10930 - 10939
a	7.4254 ± 0.0004 Å
b	29.56 ± 0.002 Å
c	17.5819 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3859.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.1188
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	0.875
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7030977.cif
119480	2014-07-07	cif/ Updating files of 7030976, 7030977, 7030978 Original log message: Adding full bibliography for 7030976--7030978.cif.	7030977.cif
113967	2014-05-19	cif/ Adding structures of 7030976, 7030977, 7030978 via cif-deposit CGI script.	7030977.cif