Crystallography Open Database

Information card for entry 7118911

Preview

Coordinates	7118911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 Cl2 I6 N4 Pt
Calculated formula	C14 H22 Cl2 I6 N4 Pt
SMILES	C(#[N][Pt]([N]#CN1CCCCC1)(Cl)Cl)N1CCCCC1.C(I)(I)I.C(I)(I)I
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	9.168 ± 0.0015 Å
b	9.1918 ± 0.0015 Å
c	10.109 ± 0.0016 Å
α	113.897 ± 0.003°
β	100.373 ± 0.003°
γ	107.948 ± 0.003°
Cell volume	693.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0496
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
182609 (current)	2016-05-06	cif/ Updating files of 7118900, 7118901, 7118902, 7118903, 7118904, 7118905, 7118906, 7118907, 7118908, 7118909, 7118910, 7118911, 7118912, 7118913, 7118914 Original log message: Adding full bibliography for 7118900--7118914.cif.	7118911.cif
178270	2016-03-18	cif/ Adding structures of 7118900, 7118901, 7118902, 7118903, 7118904, 7118905, 7118906, 7118907, 7118908, 7118909, 7118910, 7118911, 7118912, 7118913, 7118914 via cif-deposit CGI script.	7118911.cif