Crystallography Open Database

Information card for entry 2311107

Preview

Coordinates	2311107.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Aquachloridobis(2-{[3-(morpholin-4- yl)propyl]iminomethyl}phenolato)manganese(III) monohydrate
Formula	C28 H42 Cl Mn N4 O6
Calculated formula	C28 H42 Cl Mn N4 O6
SMILES	[Mn]12(Cl)(Oc3ccccc3C=[N]1CCCN1CCOCC1)(Oc1ccccc1C=[N]2CCCN1CCOCC1)[OH2].O
Title of publication	Aqua-chloridobis(2-{[3-(morpholin-4-yl)prop-yl]imino-meth-yl}phenolato)manganese(III) monohydrate.
Authors of publication	Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2011
Journal volume	67
Journal issue	Pt 8
Pages of publication	m1044 - 5
a	9.4831 ± 0.0002 Å
b	12.4169 ± 0.0003 Å
c	12.9518 ± 0.0003 Å
α	95.54 ± 0.001°
β	90.306 ± 0.002°
γ	104.229 ± 0.001°
Cell volume	1470.72 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0647
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
245579 (current)	2019-12-25	cif/ Adding structures of 2311107 via cif-deposit CGI script.	2311107.cif