Crystallography Open Database

Information card for entry 7248692

Preview

Coordinates	7248692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 I2 N2
Calculated formula	C18 H18 I2 N2
Title of publication	Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides
Authors of publication	Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.
Journal of publication	CrystEngComm
Year of publication	2024
a	6.8222 ± 0.0005 Å
b	11.0457 ± 0.0008 Å
c	12.1817 ± 0.0009 Å
α	90°
β	94.692 ± 0.002°
γ	90°
Cell volume	914.89 ± 0.12 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	0.0299
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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