Crystallography Open Database

Information card for entry 8105008

Preview

Coordinates	8105008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 F12 N5 P2
Calculated formula	C24 H27 F12 N5 P2
SMILES	n1(CC)cc[n+](c1)c1ccc2n(c3ccc([n+]4ccn(c4)CC)cc3c2c1)CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	The crystal structure of 1,1′-(9-ethyl-9H-carbazole-3,6-diyl)bis(3-ethyl-1H-imidazol-3-ium) bis(hexafluorophosphate(IV)), C24H27N5F12P2
Authors of publication	Shilu, Zhang; Bo, Zhao; Jiewei, Luo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	37 - 39
a	12.395 ± 0.004 Å
b	16.63 ± 0.006 Å
c	26.899 ± 0.01 Å
α	90°
β	90.395 ± 0.007°
γ	90°
Cell volume	5545 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0785
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
274310 (current)	2022-04-04	cif/ Adding structures of 8105008 via cif-deposit CGI script.	8105008.cif