Crystallography Open Database

Information card for entry 2242055

2242054 << 2242055 >> 2242056

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Structure parameters

Chemical name	Piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)chloridocuprate(II)]
Formula	C18 H20 Cl4 Cu2 N4 O8
Calculated formula	C18 H20 Cl4 Cu2 N4 O8
SMILES	C1(=O)O[Cu]2([Cl][Cu]3([n]4c(cc(cc4)C(=O)O)C(=O)O3)([Cl]2)Cl)([n]2c1cc(cc2)C(=O)O)Cl.[NH2+]1CC[NH2+]CC1
Title of publication	Crystal structure of a chloride-bridged copper(II) dimer: piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)chloridocuprate(II)]
Authors of publication	Inah, Bassey Enyi; Ayi, Ayi Anyama; Adhikary, Amit
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	2
Pages of publication	246 - 249
a	11.639 ± 0.003 Å
b	9.224 ± 0.002 Å
c	11.423 ± 0.003 Å
α	90°
β	105.211 ± 0.003°
γ	90°
Cell volume	1183.4 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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 all reflections	0.0522
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	0.861
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
193929 (current)	2017-03-05	cif/ hkl/ Adding structures of 2242055 via cif-deposit CGI script.	2242055.cif 2242055.hkl