Crystallography Open Database

Information card for entry 7059668

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Coordinates	7059668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 N3 P
Calculated formula	C28 H20 N3 P
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	17.4408 ± 0.0002 Å
b	6.7914 ± 0.0001 Å
c	18.9369 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2243.03 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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