Crystallography Open Database

Information card for entry 1574082

Preview

Coordinates	1574082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Cl2 N2 O2 Pt S
Calculated formula	C30 H26 Cl2 N2 O2 Pt S
SMILES	[Pt]1([n]2ccc(cc2S(=O)(=O)c2[n]1ccc(c2)C)C)(C#Cc1ccccc1)C#Cc1ccccc1.ClCCCl
Title of publication	Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.
Authors of publication	Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	14
Pages of publication	5948 - 5956
a	10.5828 ± 0.0008 Å
b	26.522 ± 0.002 Å
c	9.987 ± 0.0008 Å
α	90°
β	99.343 ± 0.002°
γ	90°
Cell volume	2765.9 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0378
Weighted residual factors for all reflections included in the refinement	0.0398
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
298786 (current)	2025-04-05	cif/ Updating files of 1574079, 1574080, 1574081, 1574082, 1574083 Original log message: Adding full bibliography for 1574079--1574083.cif.	1574082.cif
298335	2025-03-08	cif/ Adding structures of 1574079, 1574080, 1574081, 1574082, 1574083 via cif-deposit CGI script.	1574082.cif