Crystallography Open Database

Information card for entry 2241711

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Structure parameters

Chemical name	Poly[<i>N</i>,<i>N</i>-diethyl-2-hydroxyethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]]
Formula	C9 H16 Cu2 N4 O
Calculated formula	C9 H15 Cu2 N4 O
Title of publication	Crystal structure of poly[<i>N</i>,<i>N</i>-diethyl-2-hydroxyethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]]
Authors of publication	Corfield, Peter W. R.; Cleary, Emma; Michalski, Joseph F.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	7
Pages of publication	892 - 896
a	8.356 ± 0.0011 Å
b	13.7347 ± 0.0013 Å
c	11.2928 ± 0.0012 Å
α	90°
β	93.991 ± 0.009°
γ	90°
Cell volume	1292.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
211179 (current)	2018-09-26	cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces.	2241711.cif 2241711.hkl
183350	2016-06-11	cif/ hkl/ Adding structures of 2241711 via cif-deposit CGI script.	2241711.cif 2241711.hkl