Crystallography Open Database

Information card for entry 4308506

Preview

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

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308506.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308506.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308506.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308506.cif