Crystallography Open Database

Information card for entry 7104051

Preview

Coordinates	7104051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H50 Cl3 Cu2 N8 O14.5
Calculated formula	C31 H49 Cl3 Cu2 N8 O14.5
Title of publication	A novel imidazolate-bridged heterodinuclear Cu(II)Zn(II) complex derived from a unique macrocyclic ligand with two hydroxyethyl pendants
Authors of publication	Li, Shu-an; Li, Dong-feng; Yang, De-xi; Li, Yi-zhi; Huang, Jin; Yu, Kai-bei; Tang, Wen-xia
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	7
Pages of publication	880 - 881
a	18.709 ± 0.004 Å
b	19.238 ± 0.004 Å
c	23.1 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8314 ± 3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2001
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1679
Weighted residual factors for all reflections included in the refinement	0.2115
Goodness-of-fit parameter for all reflections included in the refinement	0.797
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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