Crystallography Open Database

Information card for entry 7059670

Preview

Coordinates	7059670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 F6 N O4 P S2
Calculated formula	C27 H22 F6 N O4 P S2
Title of publication	Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations
Authors of publication	Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	25
Pages of publication	10220 - 10228
a	19.7732 ± 0.0006 Å
b	8.4372 ± 0.0002 Å
c	16.5014 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2752.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	0.92
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
257792 (current)	2020-10-06	cif/ Updating files of 7059666, 7059667, 7059668, 7059669, 7059670, 7059671, 7059672 Original log message: Adding full bibliography for 7059666--7059672.cif.	7059670.cif
253953	2020-07-06	cif/ Updating files of 7059666, 7059667, 7059668, 7059669, 7059670, 7059671, 7059672 Original log message: Adding full bibliography for 7059666--7059672.cif.	7059670.cif
252562	2020-06-03	cif/ Adding structures of 7059666, 7059667, 7059668, 7059669, 7059670, 7059671, 7059672 via cif-deposit CGI script.	7059670.cif