Crystallography Open Database

Information card for entry 4308506

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Coordinates	4308506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H52 Cl2 Cu2 N6 O16 P2
Calculated formula	C52 H52 Cl2 Cu2 N6 O16 P2
SMILES	[Cu]1234[O]=P(O[Cu]56([O]=P(O1)(Oc1ccccc1)Oc1ccccc1)[n]1c(CCc7[n]4c(C[N]3(Cc3[n]2cccc3)C)ccc7)cccc1C[N]5(C)Cc1[n]6cccc1)(Oc1ccccc1)Oc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Copper(II) Complexes of a Series of Polypyridine Ligands Possessing a 1,2-Bis(2-pyridyl)ethane Common Moiety: Incorporation and Hydrolysis of Phosphate Esters
Authors of publication	Motoharu Itoh; Jun Nakazawa; Kunihiro Maeda; Koji Kano; Tadashi Mizutani; Masahito Kodera
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	691 - 702
a	17.277 ± 0.004 Å
b	18.549 ± 0.004 Å
c	17.418 ± 0.004 Å
α	90°
β	95.357 ± 0.005°
γ	90°
Cell volume	5558 ± 2 Å³
Cell temperature	223.1 K
Number of distinct elements	7
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	0.076
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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