Crystallography Open Database

Information card for entry 7231945

7231944 << 7231945 >> 7231946

Preview

Coordinates	7231945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 I6 N2 Pt2
Calculated formula	C32 H72 I6 N2 Pt2
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	14.5589 ± 0.0003 Å
b	13.8558 ± 0.0003 Å
c	23.7553 ± 0.0004 Å
α	90°
β	101.602 ± 0.002°
γ	90°
Cell volume	4694.13 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0219
Weighted residual factors for significantly intense reflections	0.0385
Weighted residual factors for all reflections included in the refinement	0.0406
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7231945.cif
212364	2018-12-05	cif/ Adding structures of 7231945, 7231946 via cif-deposit CGI script.	7231945.cif