Crystallography Open Database

Information card for entry 7232680

Preview

Coordinates	7232680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N8 Na O6
Calculated formula	C34 H30 N8 Na O6
Title of publication	Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties
Authors of publication	Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	21
Pages of publication	3273
a	8.3408 ± 0.0004 Å
b	12.4515 ± 0.0006 Å
c	16.7083 ± 0.0009 Å
α	102.611 ± 0.004°
β	92.029 ± 0.004°
γ	99.896 ± 0.004°
Cell volume	1663.38 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1466
Residual factor for significantly intense reflections	0.1083
Weighted residual factors for significantly intense reflections	0.1871
Weighted residual factors for all reflections included in the refinement	0.2025
Goodness-of-fit parameter for all reflections included in the refinement	1.224
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223691 (current)	2019-11-07	cif/ Updating files of 7232678, 7232679, 7232680, 7232681, 7232682 Original log message: Adding full bibliography for 7232678--7232682.cif.	7232680.cif
214866	2019-05-01	cif/ Adding structures of 7232678, 7232679, 7232680, 7232681, 7232682 via cif-deposit CGI script.	7232680.cif