Crystallography Open Database

Information card for entry 2011031

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Structure parameters

Formula	C18 H24 Cl2 Cu N4 O5
Calculated formula	C18 H24 Cl2 Cu N4 O5
SMILES	[Cu]123(Cl)[n]4ccccc4C[N]1(Cc1[n]2cccc1)CC[N]13CCOCC1.Cl(=O)(=O)(=O)[O-]
Title of publication	Four copper(II) complexes with potentially tetradentate tripodal ligands
Authors of publication	Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	6
Pages of publication	e233 - e235
a	9.282 ± 0.003 Å
b	11.592 ± 0.004 Å
c	19.731 ± 0.003 Å
α	90°
β	90.76 ± 0.02°
γ	90°
Cell volume	2122.8 ± 1.1 Å³
Cell temperature	299 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 significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.197
Goodness-of-fit parameter for all reflections included in the refinement	1.32
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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