Crystallography Open Database

Information card for entry 7250332

Preview

Coordinates	7250332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 F6 I N4 O2 P
Calculated formula	C12 H12 F6 I N4 O2 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	13.7177 ± 0.0002 Å
b	11.8709 ± 0.0002 Å
c	10.3823 ± 0.0002 Å
α	90°
β	92.41 ± 0.002°
γ	90°
Cell volume	1689.17 ± 0.05 Å³
Cell temperature	120.02 ± 0.1 K
Ambient diffraction temperature	120.02 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0174
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0426
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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

Version history

Revision	Date	Message	Files
300715 (current)	2025-07-06	cif/ Updating files of 7250325, 7250326, 7250327, 7250328, 7250329, 7250330, 7250331, 7250332, 7250333, 7250334 Original log message: Adding full bibliography for 7250325--7250334.cif.	7250332.cif
299389	2025-04-25	cif/ Adding structures of 7250325, 7250326, 7250327, 7250328, 7250329, 7250330, 7250331, 7250332, 7250333, 7250334 via cif-deposit CGI script.	7250332.cif