Crystallography Open Database

Information card for entry 7235209

Preview

Coordinates	7235209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 F3 I3 O4 Pd
Calculated formula	C16 H14 F3 I3 O4 Pd
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	4.3401 ± 0.0001 Å
b	16.4262 ± 0.0005 Å
c	30.145 ± 0.0011 Å
α	90°
β	93.037 ± 0.003°
γ	90°
Cell volume	2146.06 ± 0.11 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation probe	x-ray
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.	7235209.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.	7235209.cif
231067	2019-11-20	cif/ Adding structures of 7235207, 7235208, 7235209, 7235210, 7235211, 7235212 via cif-deposit CGI script.	7235209.cif