Crystallography Open Database

Information card for entry 7714125

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Coordinates	7714125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Br I N2 Pt
Calculated formula	C16 H12 Br 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	20.7756 ± 0.0017 Å
b	23.3714 ± 0.0019 Å
c	10.0722 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4890.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	1.21
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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