Crystallography Open Database

Information card for entry 7118906

Preview

Coordinates	7118906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 Br2 I6 N4 Pt
Calculated formula	C8 H14 Br2 I6 N4 Pt
Title of publication	Halogen bonding between metal centers and halocarbons.
Authors of publication	Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	32
Pages of publication	5565 - 5568
a	9.28 ± 0.0006 Å
b	9.8201 ± 0.0006 Å
c	15.7209 ± 0.001 Å
α	81.037 ± 0.0013°
β	75.8368 ± 0.0013°
γ	65.7179 ± 0.0012°
Cell volume	1263.74 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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