Crystallography Open Database

Information card for entry 2241831

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Structure parameters

Chemical name	Dichlorido{2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)
Formula	C10 H16 Cl2 Cu N2 O
Calculated formula	C10 H16 Cl2 Cu N2 O
SMILES	[Cu]12(Cl)(Cl)[OH]CC([NH]2Cc2[n]1cccc2)(C)C
Title of publication	Crystal structure of dichlorido{2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II) from synchrotron data
Authors of publication	Shin, Jong Won; Lee, Dong Won; Kim, Dae-Woong; Moon, Dohyun
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	10
Pages of publication	1400 - 1403
a	8.447 ± 0.0017 Å
b	9.895 ± 0.002 Å
c	15.254 ± 0.003 Å
α	90°
β	97.13 ± 0.03°
γ	90°
Cell volume	1265.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0235
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.61 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
186171 (current)	2016-09-06	cif/ hkl/ Adding structures of 2241831 via cif-deposit CGI script.	2241831.cif 2241831.hkl