Crystallography Open Database

Information card for entry 7058659

Preview

Coordinates	7058659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 I3 P
Calculated formula	C19 H18 I3 P
Title of publication	New polymorphism and structural sensitivity in triphenylmethylphosphonium trihalide salts
Authors of publication	Kobra, Khadijatul; Li, Yuxuan; Sachdeva, Rakesh; McMillen, Colin D.; Pennington, William T.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	32
Pages of publication	12702
a	17.9211 ± 0.0005 Å
b	14.6131 ± 0.0004 Å
c	16.2764 ± 0.0004 Å
α	90°
β	95.08 ± 0.001°
γ	90°
Cell volume	4245.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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