Crystallography Open Database

Information card for entry 7708543

Preview

Coordinates	7708543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cl N5 O Pt
Calculated formula	C30 H30 Cl N5 O Pt
SMILES	[Pt]1(C(N(c2[n]1ccc1ccccc21)C(=O)N(C)C)=Nc1c(cccc1C)C)(Cl)C#[N]c1c(C)cccc1C
Title of publication	Deprotonated diaminocarbene platinum complexes for thermoresponsive luminescent silicone materials: both catalysts and luminophores
Authors of publication	Dobrynin, Mikhail V.; Kasatkina, Svetlana; Baykov, Sergey; Savko, Polina; Antonov, Nikita; Mikherdov, Alexander S.; Boyarskiy, Vadim; Islamova, Regina M.
Journal of publication	Dalton Transactions
Year of publication	2021
a	14.117 ± 0.0001 Å
b	14.117 ± 0.0001 Å
c	27.4755 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5475.58 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269892 (current)	2021-10-12	cif/ Adding structures of 7708541, 7708542, 7708543 via cif-deposit CGI script.	7708543.cif