Crystallography Open Database

Information card for entry 7714126

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Coordinates	7714126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cl I N2 Pt
Calculated formula	C16 H12 Cl I N2 Pt
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	11.6368 ± 0.0005 Å
b	15.3999 ± 0.0012 Å
c	8.9903 ± 0.0007 Å
α	90°
β	94.531 ± 0.005°
γ	90°
Cell volume	1606.08 ± 0.19 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	0.0338
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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