Crystallography Open Database

Information card for entry 7242318

Preview

Coordinates	7242318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 I4 N2
Calculated formula	C10 H20 I4 N2
Title of publication	Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions
Authors of publication	Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	12
Pages of publication	2384 - 2395
a	8.15439 ± 0.00012 Å
b	8.70472 ± 0.00013 Å
c	13.0978 ± 0.0002 Å
α	95.739 ± 0.001°
β	98.8219 ± 0.0009°
γ	96.07 ± 0.0009°
Cell volume	907.14 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for all reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0342
Goodness-of-fit parameter for all reflections	1.32
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54059 Å
Diffraction radiation type	CuKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263737 (current)	2021-04-05	cif/ Updating files of 7242315, 7242316, 7242317, 7242318 Original log message: Adding full bibliography for 7242315--7242318.cif.	7242318.cif
262207	2021-02-25	cif/ Adding structures of 7242315, 7242316, 7242317, 7242318 via cif-deposit CGI script.	7242318.cif