Crystallography Open Database

Information card for entry 1565035

Preview

Coordinates	1565035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 I N2 Pt S
Calculated formula	C15 H17 I N2 Pt S
SMILES	c12c3cccc[n]3[Pt](C)(C)(C)(I)[n]1c1c(cccc1)s2
Title of publication	Facile activation of the C–I bond of primary alkyl halides by Pt(II) complexes having a benzothiazole ligand
Authors of publication	Nabavizadeh, S. Masoud; Raoof, Fatemeh; Pakpour, Fatemeh; Shafiei Sarvestani, Laleh; Niknam, Fatemeh; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119535
a	10.137 ± 0.002 Å
b	13.491 ± 0.003 Å
c	12.245 ± 0.002 Å
α	90°
β	98.48 ± 0.03°
γ	90°
Cell volume	1656.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	0.743
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
270056 (current)	2021-10-21	cif/ Adding structures of 1565035 via cif-deposit CGI script.	1565035.cif