Crystallography Open Database

Information card for entry 2242798

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Structure parameters

Chemical name	Tris(2,2'-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)
Formula	C48 H34 Co N14 O2
Calculated formula	C48 H34 Co N14 O2
SMILES	[Co]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]3cccc1)[n]1ccccc1c1[n]2cccc1.O(C(=C(C#N)C#N)[C-](C#N)C#N)CC.O(C(=C(C#N)C#N)[C-](C#N)C#N)CC
Title of publication	Crystal structure of tris(2,2'-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)
Authors of publication	Benabdallah, Jamila; Setifi, Zouaoui; Setifi, Fatima; Boughzala, Habib; Titi, Abderrahim
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	2
Pages of publication	142 - 145
a	22.335 ± 0.004 Å
b	10.9454 ± 0.0017 Å
c	18.721 ± 0.003 Å
α	90°
β	110.691 ± 0.005°
γ	90°
Cell volume	4281.4 ± 1.2 Å³
Cell temperature	162 ± 2 K
Ambient diffraction temperature	162 ± 2 K
Number of distinct elements	5
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	0.132
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
213097 (current)	2019-01-16	cif/ hkl/ Adding structures of 2242798 via cif-deposit CGI script.	2242798.cif 2242798.hkl