Crystallography Open Database

Information card for entry 4306750

Preview

Coordinates	4306750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 Cl2 Cu N5 O8
Calculated formula	C26 H25 Cl2 Cu N5 O8
SMILES	[Cu]123([n]4ccccc4C[N]2(Cc2[n]1cccc2)Cc1[n]3c(ccc1)c1ccccc1)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	H2O2-Reactivity of Copper(II) Complexes Supported by Tris[(pyridin-2-yl)methyl]amine Ligands with 6-Phenyl Substituents
Authors of publication	Atsushi Kunishita; Minoru Kubo; Hirohito Ishimaru; Takashi Ogura; Hideki Sugimoto; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	12032 - 12039
a	10.585 ± 0.006 Å
b	10.625 ± 0.005 Å
c	24.121 ± 0.019 Å
α	90°
β	95.73 ± 0.04°
γ	90°
Cell volume	2699 ± 3 Å³
Cell temperature	153.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71075 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.	4306750.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306750.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306750.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306750.cif