Crystallography Open Database

Information card for entry 7155022

Preview

Coordinates	7155022.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	rubidium 1,1,3,3-tetracyano-2-(2-(isopropoxycarbonyl)benzoyl)prop-2-en-1-ide
Formula	C36 H22 N8 O6 Rb2
Calculated formula	C36 H22 N8 O6 Rb2
Title of publication	Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.
Authors of publication	Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	15
Pages of publication	3758 - 3764
a	25.935 ± 0.004 Å
b	7.888 ± 0.002 Å
c	18.793 ± 0.004 Å
α	90°
β	108.37 ± 0.03°
γ	90°
Cell volume	3648.7 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1279
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
182784 (current)	2016-05-06	cif/ Updating files of 7155021, 7155022, 7155023 Original log message: Adding full bibliography for 7155021--7155023.cif.	7155022.cif
178043	2016-03-09	cif/ Adding structures of 7155021, 7155022, 7155023 via cif-deposit CGI script.	7155022.cif