Crystallography Open Database

Information card for entry 7126748

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Coordinates	7126748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 Cl2 F6 I N4 P
Calculated formula	C15 H22 Cl2 F6 I N4 P
Title of publication	Asymmetric [N-I-N]<sup>+</sup> halonium complexes.
Authors of publication	Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	60
Pages of publication	8428 - 8431
a	9.9904 ± 0.0003 Å
b	10.3032 ± 0.0002 Å
c	11.832 ± 0.0004 Å
α	90°
β	114.588 ± 0.004°
γ	90°
Cell volume	1107.47 ± 0.06 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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