Crystallography Open Database

Information card for entry 7056733

Preview

Coordinates	7056733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 N2 Pt
Calculated formula	C17 H20 N2 Pt
SMILES	[Pt]1(c2ccccc2c2[n]1cccc2)(C)C#[N]C(C)(C)C
Title of publication	A New Approach to the Effects of Isocyanide (CN-R) Ligands on the Luminescence Properties of Cycloplatinated(II) Complexes
Authors of publication	Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Golbon Haghighi, Mohsen; Notash, Behrouz; fereidoonnezhad, Masood
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	24
Pages of publication	15347 - 15356
a	9.3461 ± 0.0019 Å
b	10.106 ± 0.002 Å
c	17.704 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1672.2 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056733.cif
202885	2017-11-07	cif/ Adding structures of 7056732, 7056733 via cif-deposit CGI script.	7056733.cif