Crystallography Open Database

Information card for entry 7714129

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Coordinates	7714129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Cl I N2 O2 Pt
Calculated formula	C22 H16 Cl I N2 O2 Pt
SMILES	[Pt]1(c2ccccc2c2[n]1c1c(c(c2)C(=O)OC)cccc1)(Cl)[n]1ccc(I)cc1
Title of publication	X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding
Authors of publication	Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.283 ± 0.0006 Å
b	12.6518 ± 0.0008 Å
c	21.0436 ± 0.0015 Å
α	90°
β	90°
γ	99.172 ± 0.003°
Cell volume	2439.9 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
286833 (current)	2023-10-07	cif/ Adding structures of 7714125, 7714126, 7714127, 7714128, 7714129, 7714130, 7714131, 7714132, 7714133 via cif-deposit CGI script.	7714129.cif