Crystallography Open Database

Information card for entry 4312664

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Coordinates	4312664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Cu N4
Calculated formula	C30 H26 Cu N4
SMILES	[Cu]12([N](=CC=CN1c1ccccc1)c1ccccc1)[N](=CC=CN2c1ccccc1)c1ccccc1
Title of publication	Substituent Effects of β-Diketiminate Ligands on the Structure and Physicochemical Properties of Copper(II) Complexes
Authors of publication	Chizu Shimokawa; Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	8395 - 8405
a	14.19 ± 0.02 Å
b	7.087 ± 0.008 Å
c	23.76 ± 0.04 Å
α	90°
β	90°
γ	90°
Cell volume	2389 ± 6 Å³
Cell temperature	158.1 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for significantly intense reflections	0.024
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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