Crystallography Open Database

Information card for entry 7231946

7231945 << 7231946 >> 7231947

Preview

Coordinates	7231946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 F5 I4 N Pt
Calculated formula	C22 H36 F5 I4 N Pt
Title of publication	Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding
Authors of publication	Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	4
Pages of publication	616
a	9.3533 ± 0.0005 Å
b	12.0866 ± 0.0007 Å
c	14.5096 ± 0.0006 Å
α	80.144 ± 0.004°
β	75.835 ± 0.004°
γ	78.965 ± 0.005°
Cell volume	1547.65 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223577 (current)	2019-11-07	cif/ Updating files of 7231945, 7231946 Original log message: Adding full bibliography for 7231945--7231946.cif.	7231946.cif
212364	2018-12-05	cif/ Adding structures of 7231945, 7231946 via cif-deposit CGI script.	7231946.cif