Crystallography Open Database

Information card for entry 7235212

Preview

Coordinates	7235212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 F6 I6 O4 Pt
Calculated formula	C22 H14 F6 I6 O4 Pt
Title of publication	Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex
Authors of publication	Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	3
Pages of publication	554 - 563
a	12.1714 ± 0.0004 Å
b	17.8866 ± 0.0006 Å
c	7.4115 ± 0.0003 Å
α	90°
β	99.909 ± 0.001°
γ	90°
Cell volume	1589.45 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0325
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.211
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
257491 (current)	2020-10-06	cif/ Updating files of 7235207, 7235208, 7235209, 7235210, 7235211, 7235212 Original log message: Adding full bibliography for 7235207--7235212.cif.	7235212.cif
247687	2020-02-04	cif/ Updating files of 7235207, 7235208, 7235209, 7235210, 7235211, 7235212 Original log message: Adding full bibliography for 7235207--7235212.cif.	7235212.cif
231067	2019-11-20	cif/ Adding structures of 7235207, 7235208, 7235209, 7235210, 7235211, 7235212 via cif-deposit CGI script.	7235212.cif