Crystallography Open Database

Information card for entry 7250333

Preview

Coordinates	7250333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 F6 I N4 O3 P
Calculated formula	C15 H18 F6 I N4 O3 P
Title of publication	Hierarchical iodine(i) complexes of nicotinamide
Authors of publication	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	20
Pages of publication	3295 - 3301
a	9.4467 ± 0.0002 Å
b	10.3832 ± 0.0002 Å
c	11.175 ± 0.0002 Å
α	73.189 ± 0.002°
β	88.64 ± 0.001°
γ	88.125 ± 0.002°
Cell volume	1048.6 ± 0.04 Å³
Cell temperature	119.99 ± 0.13 K
Ambient diffraction temperature	119.99 ± 0.13 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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