Crystallography Open Database

Information card for entry 2020025

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Structure parameters

Chemical name	4,4'-Bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide)
Formula	C28 H20 N10 O2
Calculated formula	C28 H20 N10 O2
Title of publication	Multiple N—H···NC, C—H···NC and nitrile···π interactions in 4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): structure determination and DFT calculations of anion···π cation interaction energies
Authors of publication	Setifi, Fatima; Geiger, David K.; Abdul Razak, Ibrahim; Setifi, Zouaoui
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	8
a	35.847 ± 0.003 Å
b	7.3242 ± 0.0005 Å
c	22.995 ± 0.002 Å
α	90°
β	117.882 ± 0.003°
γ	90°
Cell volume	5336.5 ± 0.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181870 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00	2020025.cif 2020025.hkl
140985	2015-07-08	cif/ hkl/ Adding structures of 2020025 via cif-deposit CGI script.	2020025.cif 2020025.hkl